Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

FULL DB

Total number of items: 1540439
Total number of pages: 1541 ( 1000 items on each page )

Direct access:
1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 474, 475, 476, 477, 478, 479, 480, 481, 482, 483, 484, 485, 486, 487, 488, 489, 490, 491, 492, 493, 494, 495, 496, 497, 498, 499, 500, 501, 502, 503, 504, 505, 506, 507, 508, 509, 510, 511, 512, 513, 514, 515, 516, 517, 518, 519, 520, 521, 522, 523, 524, 525, 526, 527, 528, 529, 530, 531, 532, 533, 534, 535, 536, 537, 538, 539, 540, 541, 542, 543, 544, 545, 546, 547, 548, 549, 550, 551, 552, 553, 554, 555, 556, 557, 558, 559, 560, 561, 562, 563, 564, 565, 566, 567, 568, 569, 570, 571, 572, 573, 574, 575, 576, 577, 578, 579, 580, 581, 582, 583, 584, 585, 586, 587, 588, 589, 590, 591, 592, 593, 594, 595, 596, 597, 598, 599, 600, 601, 602, 603, 604, 605, 606, 607, 608, 609, 610, 611, 612, 613, 614, 615, 616, 617, 618, 619, 620, 621, 622, 623, 624, 625, 626, 627, 628, 629, 630, 631, 632, 633, 634, 635, 636, 637, 638, 639, 640, 641, 642, 643, 644, 645, 646, 647, 648, 649, 650, 651, 652, 653, 654, 655, 656, 657, 658, 659, 660, 661, 662, 663, 664, 665, 666, 667, 668, 669, 670, 671, 672, 673, 674, 675, 676, 677, 678, 679, 680, 681, 682, 683, 684, 685, 686, 687, 688, 689, 690, 691, 692, 693, 694, 695, 696, 697, 698, 699, 700, 701, 702, 703, 704, 705, 706, 707, 708, 709, 710, 711, 712, 713, 714, 715, 716, 717, 718, 719, 720, 721, 722, 723, 724, 725, 726, 727, 728, 729, 730, 731, 732, 733, 734, 735, 736, 737, 738, 739, 740, 741, 742, 743, 744, 745, 746, 747, 748, 749, 750, 751, 752, 753, 754, 755, 756, 757, 758, 759, 760, 761, 762, 763, 764, 765, 766, 767, 768, 769, 770, 771, 772, 773, 774, 775, 776, 777, 778, 779, 780, 781, 782, 783, 784, 785, 786, 787, 788, 789, 790, 791, 792, 793, 794, 795, 796, 797, 798, 799, 800, 801, 802, 803, 804, 805, 806, 807, 808, 809, 810, 811, 812, 813, 814, 815, 816, 817, 818, 819, 820, 821, 822, 823, 824, 825, 826, 827, 828, 829, 830, 831, 832, 833, 834, 835, 836, 837, 838, 839, 840, 841, 842, 843, 844, 845, 846, 847, 848, 849, 850, 851, 852, 853, 854, 855, 856, 857, 858, 859, 860, 861, 862, 863, 864, 865, 866, 867, 868, 869, 870, 871, 872, 873, 874, 875, 876, 877, 878, 879, 880, 881, 882, 883, 884, 885, 886, 887, 888, 889, 890, 891, 892, 893, 894, 895, 896, 897, 898, 899, 900, 901, 902, 903, 904, 905, 906, 907, 908, 909, 910, 911, 912, 913, 914, 915, 916, 917, 918, 919, 920, 921, 922, 923, 924, 925, 926, 927, 928, 929, 930, 931, 932, 933, 934, 935, 936, 937, 938, 939, 940, 941, 942, 943, 944, 945, 946, 947, 948, 949, 950, 951, 952, 953, 954, 955, 956, 957, 958, 959, 960, 961, 962, 963, 964, 965, 966, 967, 968, 969, 970, 971, 972, 973, 974, 975, 976, 977, 978, 979, 980, 981, 982, 983, 984, 985, 986, 987, 988, 989, 990, 991, 992, 993, 994, 995, 996, 997, 998, 999, 1000, 1001, 1002, 1003, 1004, 1005, 1006, 1007, 1008, 1009, 1010, 1011, 1012, 1013, 1014, 1015, 1016, 1017, 1018, 1019, 1020, 1021, 1022, 1023, 1024, 1025, 1026, 1027, 1028, 1029, 1030, 1031, 1032, 1033, 1034, 1035, 1036, 1037, 1038, 1039, 1040, 1041, 1042, 1043, 1044, 1045, 1046, 1047, 1048, 1049, 1050, 1051, 1052, 1053, 1054, 1055, 1056, 1057, 1058, 1059, 1060, 1061, 1062, 1063, 1064, 1065, 1066, 1067, 1068, 1069, 1070, 1071, 1072, 1073, 1074, 1075, 1076, 1077, 1078, 1079, 1080, 1081, 1082, 1083, 1084, 1085, 1086, 1087, 1088, 1089, 1090, 1091, 1092, 1093, 1094, 1095, 1096, 1097, 1098, 1099, 1100, 1101, 1102, 1103, 1104, 1105, 1106, 1107, 1108, 1109, 1110, 1111, 1112, 1113, 1114, 1115, 1116, 1117, 1118, 1119, 1120, 1121, 1122, 1123, 1124, 1125, 1126, 1127, 1128, 1129, 1130, 1131, 1132, 1133, 1134, 1135, 1136, 1137, 1138, 1139, 1140, 1141, 1142, 1143, 1144, 1145, 1146, 1147, 1148, 1149, 1150, 1151, 1152, 1153, 1154, 1155, 1156, 1157, 1158, 1159, 1160, 1161, 1162, 1163, 1164, 1165, 1166, 1167, 1168, 1169, 1170, 1171, 1172, 1173, 1174, 1175, 1176, 1177, 1178, 1179, 1180, 1181, 1182, 1183, 1184, 1185, 1186, 1187, 1188, 1189, 1190, 1191, 1192, 1193, 1194, 1195, 1196, 1197, 1198, 1199, 1200, 1201, 1202, 1203, 1204, 1205, 1206, 1207, 1208, 1209, 1210, 1211, 1212, 1213, 1214, 1215, 1216, 1217, 1218, 1219, 1220, 1221, 1222, 1223, 1224, 1225, 1226, 1227, 1228, 1229, 1230, 1231, 1232, 1233, 1234, 1235, 1236, 1237, 1238, 1239, 1240, 1241, 1242, 1243, 1244, 1245, 1246, 1247, 1248, 1249, 1250, 1251, 1252, 1253, 1254, 1255, 1256, 1257, 1258, 1259, 1260, 1261, 1262, 1263, 1264, 1265, 1266, 1267, 1268, 1269, 1270, 1271, 1272, 1273, 1274, 1275, 1276, 1277, 1278, 1279, 1280, 1281, 1282, 1283, 1284, 1285, 1286, 1287, 1288, 1289, 1290, 1291, 1292, 1293, 1294, 1295, 1296, 1297, 1298, 1299, 1300, 1301, 1302, 1303, 1304, 1305, 1306, 1307, 1308, 1309, 1310, 1311, 1312, 1313, 1314, 1315, 1316, 1317, 1318, 1319, 1320, 1321, 1322, 1323, 1324, 1325, 1326, 1327, 1328, 1329, 1330, 1331, 1332, 1333, 1334, 1335, 1336, 1337, 1338, 1339, 1340, 1341, 1342, 1343, 1344, 1345, 1346, 1347, 1348, 1349, 1350, 1351, 1352, 1353, 1354, 1355, 1356, 1357, 1358, 1359, 1360, 1361, 1362, 1363, 1364, 1365, 1366, 1367, 1368, 1369, 1370, 1371, 1372, 1373, 1374, 1375, 1376, 1377, 1378, 1379, 1380, 1381, 1382, 1383, 1384, 1385, 1386, 1387, 1388, 1389, 1390, 1391, 1392, 1393, 1394, 1395, 1396, 1397, 1398, 1399, 1400, 1401, 1402, 1403, 1404, 1405, 1406, 1407, 1408, 1409, 1410, 1411, 1412, 1413, 1414, 1415, 1416, 1417, 1418, 1419, 1420, 1421, 1422, 1423, 1424, 1425, 1426, 1427, 1428, 1429, 1430, 1431, 1432, 1433, 1434, 1435, 1436, 1437, 1438, 1439, 1440, 1441, 1442, 1443, 1444, 1445, 1446, 1447, 1448, 1449, 1450, 1451, 1452, 1453, 1454, 1455, 1456, 1457, 1458, 1459, 1460, 1461, 1462, 1463, 1464, 1465, 1466, 1467, 1468, 1469, 1470, 1471, 1472, 1473, 1474, 1475, 1476, 1477, 1478, 1479, 1480, 1481, 1482, 1483, 1484, 1485, 1486, 1487, 1488, 1489, 1490, 1491, 1492, 1493, 1494, 1495, 1496, 1497, 1498, 1499, 1500, 1501, 1502, 1503, 1504, 1505, 1506, 1507, 1508, 1509, 1510, 1511, 1512, 1513, 1514, 1515, 1516, 1517, 1518, 1519, 1520, 1521, 1522, 1523, 1524, 1525, 1526, 1527, 1528, 1529, 1530, 1531, 1532, 1533, 1534, 1535, 1536, 1537, 1538, 1539, 1540, 1541,

Prev 150 151 152 153 154 155 156 157 158 159 Next

STK548937
Synonyms: 3- {2- [2- (3- chlorophenoxy)ethoxy]ethyl}- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cccc(c1)Cl

STK548938
Synonyms: N- (2,5- dimethylphenyl)- N- [(2- hydroxy- 6- methylquinolin- 3- yl)methyl]- 2- methylbenzamide
Smiles: Cc1ccc(c(c1)N(C(=O)c1ccccc1C)Cc1cc2cc(C)ccc2nc1O)C

STK548939
Synonyms: 2- (4- chlorophenyl)- 1- (3- methylphenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Clc1ccc(cc1)c1nc2c(n1c1cccc(c1)C)nc1c(n2)cccc1

STK548940
Synonyms: 3- [(3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)amino]phenyl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1cccc(c1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK548941
Synonyms: N- [4- (benzyloxy)phenyl]- 2- [(5- ethyl- 4- methyl- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: CCc1c(C)nc([nH]c1=O)SCC(=O)Nc1ccc(cc1)OCc1ccccc1

STK548943
Synonyms: 12- (3- methylbenzyl)- 9- [(3- methylbenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: Cc1cccc(c1)CSc1nnc2n1c(=O)c1c(n2Cc2cccc(c2)C)c2ccccc2CC21CCCC2

STK548944
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 11- propyl- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1ccc(cc1)Br

STK548945
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK548946
Synonyms: 5- ethyl- 5- methyl- 3- (2- phenylethyl)- 2- (propan- 2- ylsulfanyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SC(C)C)CCc1ccccc1

STK548947
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- [(1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: C=CCc1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC

STK548948
Synonyms: (4aR,8aS)- 1,4- bis[(4- fluorobenzyl)oxy]octahydroquinoxaline- 2,3- dione
Smiles: O=C1N(OCc2ccc(cc2)F)[C@@H]2CCCC[C@@H]2N(C1=O)OCc1ccc(cc1)F

STK548949
Synonyms: 8- cyclohexylidene- 2- (4- fluorophenyl)- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: O=C1C2C(C(=O)N1c1ccc(cc1)F)C1C(=C3CCCCC3)C2C=C1

STK548951
Synonyms: 2- {[6- iodo- 3- (2- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccc(cc2c(=O)n1c1ccccc1OC)I)CCC

STK548952
Synonyms: 1- (4- ethoxyphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)C

STK548953
Synonyms: 2- chloro- 10- [3,5- difluoro- 2,6- di(piperidin- 1- yl)pyridin- 4- yl]- 10H- phenothiazine
Smiles: Clc1ccc2c(c1)N(c1c(F)c(nc(c1F)N1CCCCC1)N1CCCCC1)c1c(S2)cccc1

STK548955
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 10- (2,4- dimethylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)C)cccc3

STK548956
Synonyms: (2E)- N- (3- chlorophenyl)- 2- cyano- 2- [(5E)- 5- (4- methylbenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccc(cc2)C)/c(=O)n1c1ccccc1)/C(=O)Nc1cccc(c1)Cl

STK548958
Synonyms: 4- (3,5- dimethylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Cc1cc(C)cc(c1)Oc1nc(nc2c1cccc2)c1ccccn1

STK548959
Synonyms: 2- (2- {[4- amino- 6- (propan- 2- yl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}ethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CC(C1OCc2c(C1)c1c(N)nc(nc1s2)SCCN1C(=O)c2c(C1=O)cccc2)C

STK548961
Synonyms: N- [3- (dimethylamino)- 2- hydroxypropyl]- 4- methyl- N- phenylbenzenesulfonamide
Smiles: CN(CC(CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1)O)C

STK548963
Synonyms: (5Z)- 5- ({1- [3- (2,3- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2C)C)/C(=O)N1Cc1ccco1

STK548966
Synonyms: N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbonothioyl}- 9H- xanthene- 9- carboxamide
Smiles: S=C(N1CCCCC1c1cccnc1)NC(=O)C1c2ccccc2Oc2c1cccc2

STK548969
Synonyms: 4- (naphthalen- 2- yloxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccc3c(c2)cccc3)c2c(n1)cccc2)C

STK548970
Synonyms: N- (4- chlorophenyl)- 2- [(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK548971
Synonyms: 7- [(4- bromobenzyl)sulfanyl]- 4- butyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCc1ccc(cc1)Br

STK548974
Synonyms: 3- methyl- 7- {[2- (4- methylpiperazin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN1CCN(CC1)CCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK548975
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)c(n2Cc1ccccc1)C

STK548976
Synonyms: 1- (4- chlorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1cccnc1

STK548977
Synonyms: 2- [(3- benzyl- 6- iodo- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N(c1ccccc1)c1ccccc1)Cc1ccccc1

STK548978
Synonyms: 2- [4- (3,5- dimethylpiperidin- 1- yl)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CC(C)CC(C1)C

STK548979
Synonyms: (5Z)- 3- (2- bromophenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK548981
Synonyms: 1- (4- bromophenyl)- 2- (4- chlorophenyl)- 1H- imidazo[4,5- b]quinoxaline
Smiles: Clc1ccc(cc1)c1nc2c(n1c1ccc(cc1)Br)nc1c(n2)cccc1

STK548982
Synonyms: (2Z)- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl][2- (4- fluorophenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)F)/c1scc(n1)c1ccc2c(c1)OCO2

STK548983
Synonyms: 2- {4- [(2- methoxyethyl)amino]quinazolin- 2- yl}phenol
Smiles: COCCNc1nc(nc2c1cccc2)c1ccccc1O

STK548984
Synonyms: 4- [(2E)- 2- (2- chlorobenzylidene)hydrazinyl]- 2- (2- fluorophenyl)quinazoline
Smiles: Clc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK548985
Synonyms: N- (2- chlorophenyl)- 7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccccc2Cl)c(c2c1non2)[N+](=O)[O-]

STK548987
Synonyms: 2- (4- nitrophenyl)- 2- oxoethyl(diethoxyphosphoryl)acetate
Smiles: CCOP(=O)(CC(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-])OCC

STK548988
Synonyms: 2- ethyl- 8,8- dimethyl- 4- (2- methylpropoxy)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCc1nc(OCC(C)C)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C

STK548989
Synonyms: 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK548991
Synonyms: N- (4- acetylphenyl)- 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)Nc1ccc(cc1)C(=O)C)C

STK548993
Synonyms: N- (4- iodophenyl)- 7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(cc2)I)c(c2c1non2)[N+](=O)[O-]

STK548994
Synonyms: 11- (4- tert- butylphenyl)- N- (3- chloro- 4- methylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK548995
Synonyms: (8R,8aS,11aR)- N- (4- chlorophenyl)- 10- (4- methoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 8- carboxamide
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)Nc2ccc(cc2)Cl)N=Cc2c1cccc2

STK548997
Synonyms: 3- (4- ethylphenyl)- 5,5a,6,7,8,9- hexahydro- 4H- 1,2- benzodiazepine
Smiles: CCc1ccc(cc1)C1=NN=C2C(CC1)CCCC2

STK548998
Synonyms: N- (4- methylphenyl)- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)sc1c2CCCC1

STK548999
Synonyms: 2- (hexylsulfanyl)- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK549001
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK549002
Synonyms: N- (4- bromophenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549003
Synonyms: 2- [(Z)- benzylidene(oxido)- lambda~5~- azanyl]- 1- (furan- 2- yl)propan- 1- one
Smiles: [O-]/[N+](=C\c1ccccc1)/C(C(=O)c1ccco1)C

STK549005
Synonyms: 2- chloro- N'- [6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CSc1nc(NNC(=O)c2ccccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK549006
Synonyms: 5- (4- methoxyphenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK549007
Synonyms: 2- {(2Z)- 2- [3,5- bis(4- methylphenyl)cyclohex- 2- en- 1- ylidene]hydrazinyl}- 6- methyl- 4- phenylquinazoline
Smiles: Cc1ccc(cc1)C1C/C(=N/Nc2nc3ccc(cc3c(n2)c2ccccc2)C)/C=C(C1)c1ccc(cc1)C

STK549010
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (3- chlorophenyl)- 2- oxopropanehydrazonothioate
Smiles: Clc1cccc(c1)N/N=C(\C(=O)C)/Sc1nnnn1c1ccccc1

STK549011
Synonyms: 2- (2,3- dimethylphenoxy)- N'- [(3Z)- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]acetohydrazide
Smiles: O=C(COc1cccc(c1C)C)N/N=C/1\C(=O)N(c2c1cccc2)CN1CCCCC1c1cccnc1

STK549012
Synonyms: ethyl3- {[3- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)propanoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC3(CC1)OCCO3)cc(cc2)OC

STK549013
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C

STK549014
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (1,3- benzodioxol- 5- yl)ethylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/c1ccc2c(c1)OCO2

STK549015
Synonyms: 3- [5- (4- chloro- 3- ethylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: CCc1cc(OCCCCCn2c(nc3c(c2=O)cccc3)c2ccc(cc2)Cl)ccc1Cl

STK549017
Synonyms: 5- (2- methoxyphenyl)- 2- phenyl- 3- propyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1OC)c1ccccc1

STK549019
Synonyms: 3- (3- chlorophenyl)- 1- (2,4- dichlorobenzyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK549020
Synonyms: 2- chloro- 10- [3- chloro- 2,5- difluoro- 6- (morpholin- 4- yl)pyridin- 4- yl]- 10H- phenothiazine
Smiles: Clc1ccc2c(c1)N(c1c(F)c(nc(c1Cl)F)N1CCOCC1)c1c(S2)cccc1

STK549021
Synonyms: 3- (2- methylpropyl)- 2- (methylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549022
Synonyms: 2- [4- (2- chlorobenzyl)piperazin- 1- yl]- N'- [(Z)- (2- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CN1CCN(CC1)Cc1ccccc1Cl)N/N=C\c1ccccc1F

STK549023
Synonyms: 2- (4- ethylpiperazin- 1- yl)- 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)ethanone
Smiles: CCN1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK549024
Synonyms: (5Z)- 5- ({1- [3- (2,3- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2C)C)/C1=O

STK549025
Synonyms: ethyl7- {[(2,6- dimethylmorpholin- 4- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)OC(C1)C)cc1c(c2)OCO1

STK549026
Synonyms: 2- {4- [(3- chlorophenyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2cccc(c2)Cl)c2c(n1)cccc2

STK549028
Synonyms: [5- (4- bromophenyl)- 3- (6- chloro- 2- methyl- 4- phenylquinolin- 3- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl](2- chlorophenyl)methanone
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl

STK549029
Synonyms: ethyl4- (8- chloro- 2,4- dioxo- 3,4- dihydropyrimido[4,5- b]quinolin- 10(2H)- yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549030
Synonyms: 2- {5- [(Z)- (1- hexyl- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 2- methoxybenzyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCCCCCN1C(=S)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O

STK549031
Synonyms: N- cyclohexyl- 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NC1CCCCC1

STK549032
Synonyms: 2- (hexylsulfanyl)- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549033
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Br)nn2)CC(OC3)(C)C

STK549034
Synonyms: N- {1- (4- butylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- chlorobenzenesulfonamide
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)c1ccc(cc1)C

STK549036
Synonyms: 3,7- bis[(2,4- dichlorophenyl)carbonyl]- 1,5- diethyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1ccc(cc1Cl)Cl)CC)C(=O)c1ccc(cc1Cl)Cl

STK549037
Synonyms: 2- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (3- nitrophenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 4- bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)OC(=O)c1ccccc1

STK549038
Synonyms: 5- [3- (benzyloxy)- 4- methoxyphenyl]- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1OCc1ccccc1)C1Oc2ccccc2C2N1N=C(C2)c1ccccc1

STK549039
Synonyms: N- (diphenylmethyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549040
Synonyms: (5Z)- 5- ({1- [2- (4- bromophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Br)/C1=O

STK549041
Synonyms: 4- (4- chloro- 3,5- dimethylphenoxy)- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(Oc2cc(C)c(c(c2)C)Cl)c2c(n1)cccc2

STK549042
Synonyms: 2- ({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1CSc1nc2c(s1)cccc2

STK549044
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=c1n(cnc2c1C1(CCCCC1)Cc1c2cccc1)C1CCOC(C1)(C)C

STK549046
Synonyms: ethyl1- acetyl- 7- (4- iodophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)I)C(=O)C

STK549048
Synonyms: 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: O=C(N1CCCCC1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549049
Synonyms: 2- [(5- ethyl- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- phenylacetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccccc1)nn2)CCC3

STK549050
Synonyms: 4- (2- chlorophenyl)- 5- [(1R,2R)- 2- phenylcyclopropyl]- 4H- 1,2,4- triazole- 3- thiol
Smiles: Clc1ccccc1n1c(S)nnc1[C@@H]1C[C@H]1c1ccccc1

STK549051
Synonyms: 2- (benzylsulfanyl)- 3- (3- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549052
Synonyms: 4- [(2E)- 2- (4- nitrobenzylidene)hydrazinyl]- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2ccc(cc2)[N+](=O)[O-])c2c(n1)cccc2)C

STK549055
Synonyms: 11- pentyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK549056
Synonyms: 4- [(2E)- 2- (2- fluorobenzylidene)hydrazinyl]- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2ccccc2F)c2c(n1)cccc2)C

STK549057
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[2,5- dimethyl- 1- (naphthalen- 2- yl)- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)cccc3)C)/C1=O)C

STK549058
Synonyms: 3- (2,6- dichlorophenyl)- 2- {(E)- 2- [4- (propan- 2- yl)phenyl]ethenyl}quinazolin- 4(3H)- one
Smiles: CC(c1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1c(Cl)cccc1Cl)C

STK549059
Synonyms: 3- [6- (2- bromo- 4- methylphenoxy)hexyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1Br)C

STK549061
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1cccnc1

STK549062
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (3- methylphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SCc3ccccc3Cl)nnc2n(c1=O)c1cccc(c1)C)C

STK549063
Synonyms: propan- 2- yl2- amino- 1- (4- butylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK549064
Synonyms: N- benzyl- 3- (4- methylphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CC(=O)NCc1ccccc1

STK549066
Synonyms: ethyl4- [5- (morpholin- 4- yl)- 8- oxo- 1,3,4,8- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 9(2H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549068
Synonyms: 2,2'- {[12- (propan- 2- yl)- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine- 3,7- diyl]disulfanediyl}bis[1- (4- chlorophenyl)ethanone]
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Cl)nn1)CC(OC3)C(C)C

STK549069
Synonyms: 3- (furan- 2- ylmethyl)- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: O=C(c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549072
Synonyms: N- (4- methylphenyl)- 4- [4- (morpholin- 4- yl)- 3- nitrophenyl]phthalazin- 1- amine
Smiles: Cc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1

STK549073
Synonyms: 2- [(2,6- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 3- (3- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1cccc(c1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK549074
Synonyms: ethyl3- {[3- (4- carbamoylpiperidin- 1- yl)propanoyl]amino}- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cc(cc2)OC

STK549075
Synonyms: (2E)- N- (2- {(2E)- 2- [(2- methyl- 1H- indol- 3- yl)methylidene]hydrazinyl}- 2- oxoethyl)- 3- phenylprop- 2- enamide(non- preferredname)
Smiles: O=C(CNC(=O)/C=C/c1ccccc1)N/N=C/c1c(C)[nH]c2c1cccc2

STK549076
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK549079
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 2'- [(3- methoxyphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK549080
Synonyms: 2- amino- N- (3- methylphenyl)- 1- pentyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)Nc1cccc(c1)C

STK549081
Synonyms: N- (4- acetylphenyl)- 2- {[5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)C(=O)C)nn2)CCCC3

STK549083
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549084
Synonyms: 2,2'- {[12- (propan- 2- yl)- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine- 3,7- diyl]disulfanediyl}bis(1- phenylethanone)
Smiles: CC(C1OCc2c(C1)c1c3nnc(n3c3n(c1s2)c(SCC(=O)c1ccccc1)nn3)SCC(=O)c1ccccc1)C

STK549085
Synonyms: 3- [4- (dimethylamino)phenyl]- 5- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)N(C)C)c1ccccc1

STK549088
Synonyms: 1- (4- bromophenyl)- 5- (2- methoxyphenyl)- 3- (phenylcarbonyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)Br)C(=O)c1ccccc1

STK549089
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [5- (4- nitrophenyl)furan- 2- yl]methylidene}- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1COc1ccccc1)c1nonc1N)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]

STK549090
Synonyms: N- (4- methoxyphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK549091
Synonyms: N- (2- chlorophenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2ccccc2Cl)c2c(n1)cccc2)C

STK549092
Synonyms: (5Z)- 1- (2- ethylphenyl)- 5- (2,4,5- trimethoxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(OC)c(cc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1CC)OC

STK549093
Synonyms: 2- (4- butoxyphenyl)- 4- [(2,6- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK549096
Synonyms: N'- [11- (3- bromophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]- N,N- diethylbenzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)Br)c(nn1c1ccccc1)C)CC

STK549097
Synonyms: N- (3- chloro- 4- fluorophenyl)- 10- methyl- 8- phenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1c(OC)cc(cc1OC)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)F)c1ccccc1

STK549098
Synonyms: 2- [(3- fluorobenzyl)sulfanyl]- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Fc1cccc(c1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK549099
Synonyms: N- [(2- {[5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]carbonyl}hydrazinyl)carbonothioyl]- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1n[nH]c(c1)c1ccc(cc1)F

STK549100
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK549102
Synonyms: 5- (2- chlorophenyl)- 3- [(naphthalen- 2- ylmethyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)cccc4)nn2)CCCC3

STK549103
Synonyms: 2- (4- fluorophenyl)- 3- oxo- 1- (prop- 2- en- 1- yl)- 2,3- dihydro- 1H- isoindole- 4- carboxylicacid
Smiles: C=CCC1N(c2ccc(cc2)F)C(=O)c2c1cccc2C(=O)O

STK549104
Synonyms: 3- (4- methoxyphenyl)- 2- [(2- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549105
Synonyms: N- benzyl- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549106
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549107
Synonyms: ethyl4- [2- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- oxoethyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)c1c(C)[nH]c2c1cc(OC)cc2

STK549108
Synonyms: N- (diphenylmethyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549109
Synonyms: 4- [4- methyl- 3- (morpholin- 4- ylsulfonyl)phenyl]- 2- [2- oxo- 2- (4- phenylpiperazin- 1- yl)ethyl]phthalazin- 1(2H)- one
Smiles: O=C(N1CCN(CC1)c1ccccc1)Cn1nc(c2ccc(c(c2)S(=O)(=O)N2CCOCC2)C)c2c(c1=O)cccc2

STK549110
Synonyms: 6- chloro- 2- [5- (3,4- dimethoxyphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- phenylquinazoline
Smiles: COc1cc(ccc1OC)C1CC(=NN1c1nc2ccc(cc2c(n1)c1ccccc1)Cl)c1cccs1

STK549111
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK549112
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (2- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549116
Synonyms: 11- (3- bromophenyl)- N- (3- chloro- 4- methylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(c(c1)Cl)C)c1ccccc1

STK549117
Synonyms: 2- [(Z)- (1- benzyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(/C=C\2/c3ccccc3N(C2=O)Cc2ccccc2)nc2c(c1=O)cccc2

STK549118
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 4- (propan- 2- ylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SC(C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549121
Synonyms: 4- {(2Z)- 2- [1- (4- chlorophenyl)ethylidene]hydrazinyl}- 2- (2- fluorophenyl)quinazoline
Smiles: Clc1ccc(cc1)/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK549122
Synonyms: 1- ethyl- 6- fluoro- 4- oxo- 7- (4- {[(3,4,5- trimethoxyphenyl)carbonyl]carbamothioyl}piperazin- 1- yl)- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK549123
Synonyms: ethyl1- acetyl- 7- (3- nitrophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK549124
Synonyms: (6aS,6bR,9aS,10R)- 8- (2,4- dichlorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549125
Synonyms: 7,7- dimethyl- 1- (2- methylpropyl)- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CC(Cn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1)C

STK549126
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (2,6- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1c(C)cccc1C)c1ccc(c(c1)Cl)C

STK549127
Synonyms: 5- (3- methylphenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)ON(C2c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK549128
Synonyms: N- (2,5- dimethoxyphenyl)- 2,2- diphenylcyclopropanecarboxamide
Smiles: COc1ccc(c(c1)NC(=O)C1CC1(c1ccccc1)c1ccccc1)OC

STK549131
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK549132
Synonyms: 2- methoxy- 4- [10- methyl- 8- phenyl- 6- (phenylamino)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl]phenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK549133
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccc(cc1)Cl)C

STK549134
Synonyms: 2- (pyridin- 4- yl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: n1ccc(cc1)c1nc2n(n1)cnc1c2C2(CCCC2)Cc2c1cccc2

STK549135
Synonyms: 1- (5- tert- butyl- 4- methyl- 1,3- thiazol- 2- yl)- 3- prop- 2- en- 1- ylthiourea
Smiles: C=CCNC(=S)Nc1nc(c(s1)C(C)(C)C)C

STK549136
Synonyms: 2- (5- {(Z)- [1- (4- bromophenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxybenzyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br

STK549137
Synonyms: 8- fluoro- 3- {[(E)- (3- fluorophenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1cccc(c1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)F

STK549138
Synonyms: 2- [(5- oxo- 4- phenyl- 4,5,7,8- tetrahydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3)NCCc1ccccc1

STK549139
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(1Z)- 1- (2,4- dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C(\c1ccc(cc1Cl)Cl)/C

STK549140
Synonyms: 2- [(E)- 2- (4- fluorophenyl)ethenyl]- 6- iodo- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cccc2c1cccc2)I

STK549142
Synonyms: ethyl5,6- dimethoxy- 3- [(2- {4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cc(c(c2)OC)OC

STK549143
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (3- phenoxypropyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2)/C1=O)C

STK549144
Synonyms: 3- (2- methylpropyl)- 2- (pentylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549145
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- (3- methylthiophen- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1sccc1C

STK549146
Synonyms: N- benzyl- 5- nitro- 2- (piperidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCc2ccccc2)nc(nc1N)N1CCCCC1

STK549147
Synonyms: 2- (methoxycarbonyl)phenyl4- (2,4- dichlorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccc(cc1Cl)Cl

STK549148
Synonyms: (4- bromophenyl)[5- (2- chloro- 7- methylquinolin- 3- yl)- 3- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1cc2ccc(cc2nc1Cl)C)C(=O)c1ccc(cc1)Br

STK549149
Synonyms: (5E)- 5- [4- (dimethylamino)- 3- nitrobenzylidene]- 1- (2,5- dimethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O)C

STK549152
Synonyms: 7- [2- (biphenyl- 4- yl)- 2- oxo- 1- phenylethyl]- 8- bromo- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(C(n1c(Br)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccc(cc1)c1ccccc1

STK549153
Synonyms: ethyl5,6- dimethoxy- 3- {[3- (4- methylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C)cc(c(c2)OC)OC

STK549154
Synonyms: 6,6- dimethyl- 3- phenyl- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc(n1c1ccccc1)SC/C=C/c1ccccc1

STK549155
Synonyms: N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}- 9H- xanthene- 9- carboxamide
Smiles: S=C(NC(=O)C1c2ccccc2Oc2c1cccc2)NN1CCCCC1c1cccnc1

STK549157
Synonyms: 4- {(E)- [(2E)- 2- {1- cyano- 2- [(3,4- dichlorophenyl)amino]- 2- oxoethylidene}- 4- oxo- 3- phenyl- 1,3- thiazolidin- 5- ylidene]methyl}phenyl4- bromobenzoate
Smiles: N#C/C(=c/1\s/c(=C/c2ccc(cc2)OC(=O)c2ccc(cc2)Br)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK549158
Synonyms: 2- amino- 1- (2- methoxyphenyl)- N- (tetrahydrofuran- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccccc1n1c(N)c(c2c1nc1ccccc1n2)C(=O)NCC1CCCO1

STK549159
Synonyms: (4aR,4bS,7aR,8S)- 6- (2- methyl- 5- nitrophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1

STK549160
Synonyms: 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: O=c1n(cnc2c1C1(CCCCC1)Cc1c2cccc1)c1ccccc1

STK549164
Synonyms: methyl1- acetyl- 7- (3- nitrophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK549165
Synonyms: 3- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}- 8- nitro- 2H- chromen- 2- one
Smiles: CC(Cc1ccc(cc1)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-])C

STK549167
Synonyms: 1- acetyl- 3- (biphenyl- 4- yl)- 7,9- dimethyl- 4- phenyl- 1,4- dihydro[1,2,4]triazino[3,4- f]purine- 6,8(7H,9H)- dione
Smiles: CC(=O)N1N=C(c2ccc(cc2)c2ccccc2)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK549169
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(F)(F)F)C

STK549171
Synonyms: (5Z)- 3- [4- (diethylamino)phenyl]- 5- (2- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2ccccc2OC)/C1=O)CC

STK549172
Synonyms: 1- (2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)- 3- prop- 2- en- 1- ylthiourea
Smiles: C=CCNC(=S)Nc1c[nH]c(=O)[nH]c1=O

STK549174
Synonyms: 11- (3- methoxypropyl)- 3- (tetrahydrofuran- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1c2nc3ccccc3nc2c2c1ncn(c2=O)CC1CCCO1

STK549175
Synonyms: N- (2,4- dimethylphenyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549176
Synonyms: ethyl1- acetyl- 7- (3- methylphenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)C)C(=O)C

STK549178
Synonyms: 1- (4- bromophenyl)- 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]ethanone
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Br)nn2)CC(OC3)(C)C

STK549180
Synonyms: (5Z)- 5- ({1- [2- (4- bromophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK549181
Synonyms: (5Z)- 5- ({1- [3- (4- chlorophenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(cc2)Cl)/C1=O

STK549183
Synonyms: ethyl4- {6- iodo- 2- [(E)- 2- (3- methylphenyl)ethenyl]- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cc(cc2)I

STK549184
Synonyms: 11- (4- chloro- 3- nitrophenyl)- 3- hexyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl

STK549185
Synonyms: 1- chloro- 6- fluoro- 4- (4- fluorophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline
Smiles: ClC1C(CC2C1c1cccc(c1NC2c1ccc(cc1)F)F)Sc1ccccc1[N+](=O)[O-]

STK549186
Synonyms: [4- amino- 2- (prop- 2- en- 1- ylamino)- 1,3- thiazol- 5- yl](tricyclo[3.3.1.1~3,7~]dec- 1- yl)methanone
Smiles: C=CCNc1nc(c(s1)C(=O)C12CC3CC(C2)CC(C1)C3)N

STK549188
Synonyms: N,N- diethyl- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CC

STK549189
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549191
Synonyms: N- {3- [bis(2- methylpropyl)amino]- 2- hydroxypropyl}- N- (4- methylphenyl)benzenesulfonamide
Smiles: OC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C)CN(CC(C)C)CC(C)C

STK549193
Synonyms: 2- {4- [(3- fluorophenyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Nc2cccc(c2)F)c2c(n1)cccc2

STK549194
Synonyms: 1- [5- (4- fluorophenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (2- methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1nnc(s1)c1ccc(cc1)F

STK549196
Synonyms: 11- (4- tert- butylphenyl)- N- (3,4- dimethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccc(cc1)C(C)(C)C)n1c(=N2)c(Nc2ccc(c(c2)C)C)nc2c1cccc2)c1ccccc1

STK549197
Synonyms: 4- (benzyloxy)- N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK549201
Synonyms: (5E)- 1- cyclohexyl- 5- ({[2- (piperazin- 1- yl)ethyl]amino}methylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/NCCN1CCNCC1)C1CCCCC1

STK549202
Synonyms: 1- [(2,4- dichlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1Cl)Cl

STK549203
Synonyms: (2'R,3'R)- 2'- (furan- 2- yl)- 3'- [(4- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccco1)C(=O)c1c(C2=O)cccc1)cccc3

STK549205
Synonyms: 6- chloro- 3- {5- (4- chlorophenyl)- 1- [(2- chlorophenyl)carbonyl]- 4,5- dihydro- 1H- pyrazol- 3- yl}- 4- phenylquinolin- 2(1H)- one
Smiles: Clc1ccc(cc1)C1CC(=NN1C(=O)c1ccccc1Cl)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK549206
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 6- iodo- 3- (2- methyl- 5- nitrophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1cc(ccc1C)[N+](=O)[O-])I

STK549207
Synonyms: N,N- dibutyl- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3)CCCC

STK549209
Synonyms: 3- ethyl- 6- hydroxy- 2- (octylsulfanyl)- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 4(3H)- one
Smiles: CCCCCCCCSc1nc(O)c(c(=O)n1CC)C1NCCc2c1cccc2

STK549210
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK549211
Synonyms: 1,4- bis(2,4- dinitronaphthalen- 1- yl)piperazine
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1N1CCN(CC1)c1c(cc(c3c1cccc3)[N+](=O)[O-])[N+](=O)[O-])cccc2

STK549213
Synonyms: 2- amino- 1- (1,3- benzodioxol- 5- yl)- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1cc(CCNC(=O)c2c(N)n(c3c2nc2ccccc2n3)c2ccc3c(c2)OCO3)ccc1OC

STK549214
Synonyms: (5E)- 1- (2,4- dimethylphenyl)- 5- (2,4,5- trimethoxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(OC)c(cc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1C)C)OC

STK549217
Synonyms: 4- [(2E)- 2- (3- nitrobenzylidene)hydrazinyl]- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(N/N=C/c2cccc(c2)[N+](=O)[O-])c2c(n1)cccc2)C

STK549218
Synonyms: methyl1- {[3- (pentafluorophenoxy)phenyl]carbamoyl}- D- prolinate
Smiles: COC(=O)[C@H]1CCCN1C(=O)Nc1cccc(c1)Oc1c(F)c(F)c(c(c1F)F)F

STK549219
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549221
Synonyms: 11- butyl- 5- (methylsulfanyl)- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)nc(n1c3nnc1)SC

STK549223
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)Cc1ccc2c(c1)OCO2)c1ccc(c(c1)OC)OC

STK549224
Synonyms: 5- (2- methoxyphenyl)- 3- (4- nitrophenyl)- 1- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)N(N=C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK549225
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- N- (2- phenylethyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CSc1nc(NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549226
Synonyms: 1- ethyl- 6- fluoro- 7- (4- {[(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]carbamothioyl}piperazin- 1- yl)- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1c(C)onc1c1ccccc1)c(c2)F

STK549227
Synonyms: 1- (3- hydroxypropyl)- 7,7- dimethyl- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: OCCCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccccc1

STK549229
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- (2- phenylethyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK549230
Synonyms: 3- (2- methylpropyl)- 2- (propan- 2- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(Cn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1)C

STK549231
Synonyms: (2Z)- 2- (4- chlorobenzylidene)- 6- (3,4- dimethoxybenzyl)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)Cl)/c2=O

STK549232
Synonyms: 2- amino- 1- (2,4- dimethoxyphenyl)- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(c(c1)OC)n1c2nc3ccccc3nc2c(c1N)C(=O)NCCc1ccc(c(c1)OC)OC

STK549233
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- [(4- chlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)ccc1OCc1ccc(cc1)Cl

STK549234
Synonyms: 2- {[4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3SCC(=O)Nc1cccc2c1cccc2)C

STK549235
Synonyms: N~2~,N~2~- dimethyl- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK549236
Synonyms: 9- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 8- methyl- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: C/C(=C\CSc1nc2sc3c(c2c(=O)n1C)CCc1c3cccc1)/Cl

STK549237
Synonyms: 2- (2- fluorophenyl)- 4- [(2E)- 2- (4- nitrobenzylidene)hydrazinyl]quinazoline
Smiles: Fc1ccccc1c1nc(N/N=C/c2ccc(cc2)[N+](=O)[O-])c2c(n1)cccc2

STK549238
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1Cl

STK549239
Synonyms: (5Z)- 5- [4- (dimethylamino)benzylidene]- 1- (2- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(cc2)N(C)C)/C1=O

STK549240
Synonyms: N- {1- (3,5- dimethylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1n(c2cc(C)cc(c2)C)c2c(c1S(=O)(=O)c1ccc(cc1)C)nc1c(n2)cccc1

STK549241
Synonyms: 4- {[(6aS,6bR,9aS,10R)- 8- (2- methyl- 4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 10- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1C)[N+](=O)[O-])C=Cc1c2cccc1

STK549242
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (3,4- dimethoxyphenyl)pyridin- 2- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2C)C)nc(c(c1c1ccc(c(c1)OC)OC)C#N)N

STK549244
Synonyms: 3- amino- N- tert- butyl- 4- (2- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: COc1ccccc1c1cc(nc2c1c(N)c(s2)C(=O)NC(C)(C)C)c1ccccc1

STK549248
Synonyms: ethyl3- ({3- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C(=O)c1ccco1)cc(cc2)OC

STK549249
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(1Z)- 1- (3,4- dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(c(c1)Cl)Cl)/C)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK549250
Synonyms: 2- (3- chlorophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Clc1cccc(c1)c1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK549252
Synonyms: 2- (3- chlorophenyl)- 8- cyclohexylidene- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: Clc1cccc(c1)N1C(=O)C2C(C1=O)C1C(=C3CCCCC3)C2C=C1

STK549254
Synonyms: 2- bromo- N- [(1E)- 3- {[2- (1H- indol- 3- yl)ethyl]amino}- 3- oxo- 1- (pyridin- 3- yl)prop- 1- en- 2- yl]benzamide
Smiles: O=C(/C(=C\c1cccnc1)/NC(=O)c1ccccc1Br)NCCc1c[nH]c2c1cccc2

STK549258
Synonyms: 3- [5- (2- chloro- 5- methylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cc(C)ccc1Cl

STK549259
Synonyms: N- [(Z)- {[(4- chlorophenyl)sulfonyl]imino}(phenyl)methyl]glycine
Smiles: OC(=O)CN/C(=N\S(=O)(=O)c1ccc(cc1)Cl)/c1ccccc1

STK549260
Synonyms: 2- imino- 10- methyl- 1- (4- methylbenzyl)- 3- [(4- methylphenyl)sulfonyl]- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc(cc1)Cn1c2nc3c(C)cccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(cc1)C

STK549264
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549265
Synonyms: 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)C

STK549266
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 5- nitroquinoline
Smiles: [O-][N+](=O)c1ccc(c2c1cccn2)N1CCN(CC1)Cc1ccccc1

STK549268
Synonyms: (6aR,6bS,9aR,10S)- 8- (3- bromophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549269
Synonyms: 6- ethyl- 6,12- dimethyl- 9- (methylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2C)nnc1SC

STK549272
Synonyms: N- (3- chloro- 4- methylphenyl)- 10- methyl- 11- (3- nitrophenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1cccc(c1)[N+](=O)[O-])n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK549273
Synonyms: 2- (hexylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SCCCCCC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549275
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 11- propyl- 7,8,9,10- tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncn1c3nnc1SCc1c(Cl)cccc1Cl

STK549276
Synonyms: 3- benzyl- 6- iodo- 2- (pentylsulfanyl)quinazolin- 4(3H)- one
Smiles: CCCCCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK549278
Synonyms: N- (3- bromo- 4- methylphenyl)- 7- (4- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCN(CC1)c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK549279
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CCC

STK549280
Synonyms: propan- 2- yl2- amino- 1- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)C(=O)OC(C)C

STK549281
Synonyms: 2- (propoxycarbonyl)phenyl4- (3- nitrophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1cccc(c1)[N+](=O)[O-]

STK549282
Synonyms: N- (naphthalen- 1- yl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549283
Synonyms: 2- {[5- (4- tert- butylphenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methoxynaphthalen- 1- yl)methylidene]acetohydrazide
Smiles: COc1ccc2c(c1/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)cccc2

STK549284
Synonyms: diethyl1,1'- (7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4- diyl)bis(5- amino- 1H- pyrazole- 4- carboxylate)
Smiles: CCOC(=O)c1cnn(c1N)c1nc2sc3c(c2c(n1)n1ncc(c1N)C(=O)OCC)CCC(C3)C

STK549285
Synonyms: N- {1,1,1,3,3,3- hexafluoro- 2- [(6- nitro- 1,3- benzothiazol- 2- yl)amino]propan- 2- yl}pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK549286
Synonyms: N- (4- chlorophenyl)- 11- (4- ethylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK549288
Synonyms: 3- [3- (2- chloro- 4,6- dimethylphenoxy)propyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cc(cc1Cl)C

STK549289
Synonyms: methyl(2E)- [2- (4- chlorophenyl)hydrazinylidene][(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethanoate
Smiles: COC(=O)/C(=N\Nc1ccc(cc1)Cl)/Sc1nnnn1c1ccccc1

STK549291
Synonyms: 2- ({4- amino- 6- [(2- fluorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK549292
Synonyms: (2'R,3'R)- 2'- (2,3- dimethoxyphenyl)- 3'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1c(OC)cccc1[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549294
Synonyms: {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK549295
Synonyms: 7- (pentylsulfanyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK549296
Synonyms: 3- (5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexan]- 2- yl)phenol
Smiles: Oc1cccc(c1)c1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK549297
Synonyms: 3- (furan- 2- ylmethyl)- 2- (pentylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549299
Synonyms: 4- (2,4- dichlorophenoxy)- 2- (2- fluorophenyl)quinazoline
Smiles: Clc1ccc(c(c1)Cl)Oc1nc(nc2c1cccc2)c1ccccc1F

STK549301
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,4- dimethoxyphenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)OC)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549303
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- chlorophenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Clc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK549304
Synonyms: N- {(1E)- 1- (3,4- diethoxyphenyl)- 3- [(2- hydroxyethyl)amino]- 3- oxoprop- 1- en- 2- yl}- 4- methylbenzamide
Smiles: OCCNC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccc(cc1)C

STK549305
Synonyms: (5Z)- 5- ({1- [3- (3,5- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1cc(OCCCn2cc(c3c2cccc3)/C=C\2/C(=O)NC(=O)N(C2=O)Cc2ccco2)cc(c1)C

STK549306
Synonyms: 3- (2- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccccc1n1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549307
Synonyms: (2Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- [(3- chloro- 4- fluorophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1ccc(c(c1)Cl)F)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK549308
Synonyms: methyl4- [3- (4- hydroxy- 3- methoxyphenyl)- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1)OC)O

STK549309
Synonyms: tert- butyl(2''R,3''R)- 2''- (3,4- dimethoxyphenyl)- 4',6'- dioxo- 2'',3''- dihydro- 10b''H- dispiro[cyclohexane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 3''- carboxylate
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2

STK549310
Synonyms: (2E)- 3- {[4- chloro- 2- (trifluoromethyl)phenyl]amino}- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C(F)(F)F)Cl)/c1scc(n1)c1ccc(cc1)CC(C)C

STK549311
Synonyms: N- [(4E)- 8- ethoxy- 6- (4- ethoxyphenyl)- 1,3- dimethyl- 4H- cyclohepta[c]furan- 4- ylidene]benzene- 1,2- diamine
Smiles: CCOc1ccc(cc1)c1c/c(=N\c2ccccc2N)/c2c(c(c1)OCC)c(oc2C)C

STK549312
Synonyms: 1- [5- (3- fluorophenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (2- methylphenyl)urea
Smiles: O=C(Nc1ccccc1C)Nc1nnc(s1)c1cccc(c1)F

STK549313
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549315
Synonyms: 3- butyl- 2- (propan- 2- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCn1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549316
Synonyms: 4- chloro- 2- (pyridin- 2- yl)quinazoline
Smiles: Clc1nc(nc2c1cccc2)c1ccccn1

STK549317
Synonyms: 10- methyl- N- (3- methylphenyl)- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK549318
Synonyms: 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 1- phenylpyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)Cn1nc(cc1C)C

STK549320
Synonyms: 7- (4- chlorophenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK549321
Synonyms: N,N- dibutyl- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)CCCC

STK549322
Synonyms: (4bR,7aS,8R)- 6- (3- bromophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK549324
Synonyms: (5Z)- 5- [(1- {2- [2- (butan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F)C

STK549325
Synonyms: 3,3'- sulfonylbis{6- chloro- N- [4- (diethylamino)phenyl]benzenesulfonamide}
Smiles: CCN(c1ccc(cc1)NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)N(CC)CC)Cl)CC

STK549326
Synonyms: N- (3,5- dimethylphenyl)- 11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1

STK549327
Synonyms: (5Z)- 5- (4- hydroxy- 3- methoxybenzylidene)- 3- (naphthalen- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1cc(ccc1O)/C=C/1\SC(=S)N(C1=O)c1ccc2c(c1)cccc2

STK549328
Synonyms: (4bR,7aS,8R)- 6- (4- nitrophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1

STK549329
Synonyms: N'- [(1Z)- 3,5- diphenylcyclohex- 2- en- 1- ylidene]- 4- methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C\1/CC(CC(=C1)c1ccccc1)c1ccccc1

STK549330
Synonyms: 4- fluoro- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549331
Synonyms: (5Z)- 5- ({1- [2- (4- bromophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Br)/C1=O

STK549332
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(1E,2E)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/C(=C/c1ccco1)/C

STK549335
Synonyms: ethyl7- {[(4- benzylpiperidin- 1- yl)acetyl]amino}- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)cc1c(c2)OCO1

STK549336
Synonyms: (2Z)- 2- cyano- N- (furan- 2- ylmethyl)- 2- [(5Z)- 5- (3- nitrobenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)NCc1ccco1

STK549337
Synonyms: (3Z)- 3- [(3- bromophenyl)imino]- 1- [(4- phenylpiperazin- 1- yl)methyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1cccc(c1)/N=C\1/c2ccccc2N(C1=O)CN1CCN(CC1)c1ccccc1

STK549339
Synonyms: 2- [(3- ethyl- 6- iodo- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK549341
Synonyms: 3- benzyl- 6- iodo- 2- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N1CCOCC1)Cc1ccccc1

STK549342
Synonyms: (6aS,6bR,9aS,10R)- 8- (3- fluorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Fc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549344
Synonyms: propan- 2- yl2- amino- 1- (4- chloro- 3- nitrophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)[N+](=O)[O-])Cl)C

STK549345
Synonyms: 10- (4- methylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Cc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)[nH]c2=O

STK549347
Synonyms: N,N- dibutyl- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3)CCCC

STK549348
Synonyms: 2- amino- N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccc(c(c1)OC)OC

STK549349
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1Z)- 1- (3,4- dimethoxyphenyl)ethylidene]- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N\NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/C

STK549350
Synonyms: 3- [5- (3- bromophenyl)- 1- phenyl- 4,5- dihydro- 1H- pyrazol- 3- yl]- 6- chloro- 4- phenylquinolin- 2(1H)- one
Smiles: Brc1cccc(c1)C1CC(=NN1c1ccccc1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK549351
Synonyms: 9- (3- methylphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Cc1cccc(c1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549352
Synonyms: (4aS,4bR,7aS,8R)- 6- (1,3- benzodioxol- 5- yl)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)c1cccc(c1)[N+](=O)[O-]

STK549354
Synonyms: 4- {6- [(4- ethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK549355
Synonyms: 8- methoxy- 2- methyl- 3- ({(E)- [4- (methylsulfanyl)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)SC

STK549357
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- {[1- (3- phenoxypropyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2)/C1=O

STK549358
Synonyms: 4- (3- methylphenyl)- 1- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(C1OCc2c(C1)c1c(s2)n2c(SC/C=C/c3ccccc3)nnc2n(c1=O)c1cccc(c1)C)C

STK549359
Synonyms: (4aS,4bR,7aS,8R)- 6- (4- chlorophenyl)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549363
Synonyms: 6- iodo- 3- (naphthalen- 2- yl)- 2- [(E)- 2- (3- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)cccc2

STK549364
Synonyms: 4- {6- [(3- chloro- 4- methylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: Cc1nn(c2c1C(c1ccc(c(c1)O)O)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK549365
Synonyms: ethyl4- {[11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccco2)c(nn1c1ccccc1)C

STK549367
Synonyms: 3- benzyl- 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 6- iodoquinazolin- 4(3H)- one
Smiles: C/C(=C\CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I)/Cl

STK549368
Synonyms: (5Z)- 3- (2- bromophenyl)- 5- (2- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK549369
Synonyms: (5E)- 5- [4- (dimethylamino)- 3- nitrobenzylidene]- 1- (2,4- dimethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C1=O

STK549370
Synonyms: 1- (4- methylphenoxy)- 3- (pyrrolidin- 1- yl)propan- 2- ol
Smiles: OC(CN1CCCC1)COc1ccc(cc1)C

STK549372
Synonyms: dimethyl5- ({(Z)- 2- cyano- 2- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzene- 1,3- dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)CC

STK549374
Synonyms: 8- methyl- 9- (pentylsulfanyl)- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CCCCCSc1nc2sc3c(c2c(=O)n1C)CCc1c3cccc1

STK549376
Synonyms: 6- iodo- 3- (naphthalen- 1- yl)- 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1)c1cccc2c1cccc2

STK549377
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549378
Synonyms: 3- [4- (dimethylamino)phenyl]- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK549379
Synonyms: 11- (1,3- benzodioxol- 5- ylmethyl)- 2- methyl- 3- (prop- 2- en- 1- yl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: C=CCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK549380
Synonyms: 3- [4- (2- chloro- 5- methylphenoxy)butyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cc(C)ccc1Cl

STK549381
Synonyms: 3- bromo- N- [2- (dipropan- 2- ylamino)ethyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: CC(N(C(C)C)CCNC(=O)c1coc(=O)c(c1)Br)C

STK549382
Synonyms: ethyl4- {[11- (3- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)OC)c(nn1c1ccccc1)C

STK549383
Synonyms: 2,2,5- trimethyl- 10- (methylsulfanyl)- N- (tetrahydrofuran- 2- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CSc1nc(NCC2CCCO2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C

STK549384
Synonyms: 11- (4- ethoxyphenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C)nc1c2cccc1

STK549386
Synonyms: N- (3- bromo- 4- methylphenyl)- 7- (3- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCCN(C1)c1cc(Nc2ccc(c(c2)Br)C)c(c2c1non2)[N+](=O)[O-]

STK549387
Synonyms: 4- [3,5,6- trifluoro- 4- (2- nitrophenoxy)pyridin- 2- yl]morpholine
Smiles: Fc1nc(N2CCOCC2)c(c(c1F)Oc1ccccc1[N+](=O)[O-])F

STK549388
Synonyms: N- (4- chlorophenyl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK549389
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK549390
Synonyms: 1- (4- chlorophenyl)- 2- [(2- ethyl- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CCC1

STK549394
Synonyms: [2- (piperidin- 1- yl)quinolin- 3- yl]methanol
Smiles: OCc1cc2ccccc2nc1N1CCCCC1

STK549395
Synonyms: 2- amino- 1- [2- (3,4- dimethoxyphenyl)ethyl]- N- (4- methoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(c(c1)OC)OC

STK549396
Synonyms: 3- (2- methylpropyl)- 2- (methylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK549399
Synonyms: (5Z)- 3- (2- chlorophenyl)- 5- (3- fluorobenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK549400
Synonyms: (9E)- 9- (4- fluorobenzylidene)- 5- (4- fluorophenyl)- 3- (4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)c1csc2=NC3=C(C(n12)c1ccc(cc1)F)CN(C/C/3=C\c1ccc(cc1)F)C

STK549401
Synonyms: 5- ethyl- 10,10- dimethyl- 3- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK549402
Synonyms: 3- (2,5- dimethylphenyl)- 11- (3- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1ccc(c(c1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C)C

STK549403
Synonyms: ethyl{[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK549404
Synonyms: (6aR,6bS,9aR,10S)- 8- (4- chlorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Clc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549405
Synonyms: 6,6- dimethyl- 3- (3- methylphenyl)- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1cccc(c1)n1c(SC/C=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK549408
Synonyms: 2- (4- chlorophenyl)- 3- [5- (3- methylphenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cccc(c1)C

STK549409
Synonyms: 5- bromo- 4- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 2- chloropyrimidine
Smiles: Brc1ccc(cc1)/C=N/Nc1nc(Cl)ncc1Br

STK549410
Synonyms: 3,3'- {sulfonylbis[(2- chlorobenzene- 4,1- diyl)oxy]}bis[1- (pyrrolidin- 1- yl)propan- 2- ol]
Smiles: OC(CN1CCCC1)COc1ccc(cc1Cl)S(=O)(=O)c1ccc(c(c1)Cl)OCC(CN1CCCC1)O

STK549411
Synonyms: 2- methoxyethyl2- amino- 1- (2- ethoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1OCC

STK549413
Synonyms: 5- (2- chlorophenyl)- 3- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CCCC3

STK549414
Synonyms: N- (4- ethoxyphenyl)- 11- (4- fluorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)F)c(nn1c1ccccc1)C

STK549416
Synonyms: (2E)- 2- [(5E)- 5- benzylidene- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- N- (3- chlorophenyl)- 2- cyanoethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccccc2)/c(=O)n1c1ccccc1)/C(=O)Nc1cccc(c1)Cl

STK549417
Synonyms: 3- bromo- N- (3- nitrophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1cccc(c1)[N+](=O)[O-]

STK549418
Synonyms: (2'R,3'R)- 2'- (4- methoxyphenyl)- 3'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549419
Synonyms: 3,7- bis[(3- nitrophenyl)carbonyl]- 1,5- dipropyl- 3,7- diazabicyclo[3.3.1]nonan- 9- one
Smiles: CCCC12CN(CC(C2=O)(CN(C1)C(=O)c1cccc(c1)[N+](=O)[O-])CCC)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549420
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)cc(c1OC)OC

STK549421
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (4- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549422
Synonyms: 4- [(E)- {2- [4- (3- chlorophenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OS(=O)(=O)c2ccccc2)/S1

STK549423
Synonyms: N- (4- methoxyphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549425
Synonyms: 2- (trichloromethyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: ClC(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)(Cl)Cl

STK549428
Synonyms: 1- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 4- (3- methylphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)F)C(C)C

STK549429
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SCc1c(Cl)cccc1Cl)nn2)CC(OC3)(C)C

STK549430
Synonyms: ethyl(2E)- cyano[5- (2- hydroxyethyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanoate
Smiles: OCCC1S/C(=C(/C(=O)OCC)\C#N)/N(C1=O)c1ccccc1

STK549431
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(E)- pyridin- 4- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)Cl)N/N=C/c1ccncc1

STK549432
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1)OCC

STK549434
Synonyms: 4- butyl- N- pentyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCCNc1ncnc2c1SC1C2C2=C(C(=N1)CCCC)CCC2

STK549435
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- ethoxy- 4- [(2- methylbenzyl)oxy]phenyl}methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1ccccc1C

STK549437
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(cc2)OC)c(c(n1)N)[N+](=O)[O-]

STK549438
Synonyms: N- (2- methoxyphenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549439
Synonyms: 1- [(4- bromobenzyl)sulfanyl]- 4- (4- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1ccc(cc1)Br

STK549440
Synonyms: 2- methoxyethyl6- ({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COCCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccc(cc1)Br

STK549441
Synonyms: 6- bromo- 2- [5- (4- bromophenyl)- 1',3'- diphenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]- 4- phenylquinazoline
Smiles: Brc1ccc(cc1)C1=NN(C(C1)c1cn(nc1c1ccccc1)c1ccccc1)c1nc2ccc(cc2c(n1)c1ccccc1)Br

STK549442
Synonyms: 3- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 8- fluoro- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)F

STK549443
Synonyms: 4- {[(6aS,6bR,9aS,10R)- 8- (2- methoxy- 5- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 10- yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C)[N+](=O)[O-]

STK549444
Synonyms: 4- (2- methylpropyl)- N- [2- (morpholin- 4- yl)ethyl]- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3NCCN1CCOCC1)C

STK549445
Synonyms: 2- (benzylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549446
Synonyms: N- (4- bromophenyl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK549447
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- ({1- [3- (2- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2C)/C1=O

STK549448
Synonyms: N'- [11- (3,4- dimethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]- N,N- diethylbenzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)OC)c(nn1c1ccccc1)C)CC

STK549449
Synonyms: 5- (4- fluorophenyl)- 3- (4- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Oc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)F

STK549451
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 4- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK549452
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- ({1- [2- (2- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK549453
Synonyms: 3- (furan- 2- yl)- 1- (methylsulfonyl)- 5- (3- nitrophenyl)- 4,5- dihydro- 1H- pyrazole
Smiles: [O-][N+](=O)c1cccc(c1)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK549454
Synonyms: N- cyclohexyl- 2- imino- 1,10- dimethyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1C)NC1CCCCC1

STK549457
Synonyms: 2- methoxy- 6- [4- (4- phenylpiperazin- 1- yl)quinazolin- 2- yl]phenol
Smiles: COc1cccc(c1O)c1nc(N2CCN(CC2)c2ccccc2)c2c(n1)cccc2

STK549458
Synonyms: 2- {[10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- 1- (4- nitrophenyl)ethanone
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)[N+](=O)[O-])nn2)CC(OC3)(C)C

STK549459
Synonyms: (5Z)- 2- [(2- chlorophenyl)amino]- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 1,3- thiazol- 4(5H)- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=NC1=O)Nc1ccccc1Cl

STK549460
Synonyms: 4- butoxy- N'- [2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(SC)nc2c1c1CCCc1s2

STK549461
Synonyms: ethyl4- ({[1- amino- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK549462
Synonyms: ethyl3- ({3- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cc(cc2)OC

STK549463
Synonyms: N~4~- (3- methylphenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: Cc1cccc(c1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK549468
Synonyms: (5Z)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1

STK549471
Synonyms: (5Z)- 5- [(1- {2- [4- (butan- 2- yl)phenoxy]ethyl}- 1H- pyrrol- 2- yl)methylidene]- 1- (3- chloro- 4- methoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)OCCn1cccc1/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)OC)C

STK549473
Synonyms: 1- (3- methylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C

STK549474
Synonyms: N- (4- methoxyphenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: COc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccc(cc1)OC(C)C

STK549477
Synonyms: N- (4- chlorophenyl)- 11- (3,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)Cl)Cl)C)c1ccccc1

STK549478
Synonyms: ethyl3- ({3- [4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cc(Cl)ccc1C)cccc2

STK549480
Synonyms: 9- bromo- 5- (3,4- difluorophenyl)- 2- (thiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(c(c1)F)F)c1cccs1

STK549483
Synonyms: 2- hydroxy- N- [5- (methylsulfanyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: CSc1nnc(s1)NC(=O)c1ccccc1O

STK549484
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(2Z)- butan- 2- ylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)/C

STK549486
Synonyms: 2- (2- bromophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Brc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK549487
Synonyms: 3- [(4- fluorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)F)nn2)CC(OC3)(C)C

STK549488
Synonyms: (2E)- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 3- [(3,4,5- trimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)C

STK549489
Synonyms: methyl4- {6- [(4- bromophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)Br)nc1c2cccc1

STK549491
Synonyms: 3- methyl- 7- {[2- (pyrrolidin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCN1CCCC1)c(=O)c1c(c2=O)cccc1

STK549492
Synonyms: (6aS,6bR,9aS,10R)- 8- (naphthalen- 1- yl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc3c1cccc3)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK549493
Synonyms: 3- chloro- N- (2,6- dichlorophenyl)- 2,5,6- trifluoropyridin- 4- amine
Smiles: Clc1cccc(c1Nc1c(F)c(F)nc(c1Cl)F)Cl

STK549494
Synonyms: 4- chloro- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK549495
Synonyms: 8- chloro- 10- (4- fluorophenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Fc1ccc(cc1)n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O

STK549496
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)C)/C1=O

STK549497
Synonyms: 2- (4- butoxyphenyl)- 6,6- dimethyl- 4- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SC/C=C/c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549498
Synonyms: 4- [(2E)- 2- (2- fluorobenzylidene)hydrazinyl]- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK549499
Synonyms: (2E)- 2- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK549500
Synonyms: 1- (4- bromophenyl)- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CCCC1

STK549501
Synonyms: 3- (furan- 2- ylmethyl)- 2- (methylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549503
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: Cc1cccc(c1)n1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549506
Synonyms: 3- [(4- methylphenyl)sulfonyl]- 1- phenyl- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1ccccc1

STK549507
Synonyms: 4- (biphenyl- 4- yloxy)- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc(Oc2ccc(cc2)c2ccccc2)c2c(n1)cccc2

STK549508
Synonyms: (5Z)- 1- (3- chloro- 4- methylphenyl)- 5- ({1- [2- (2- chlorophenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1Cl)c1ccc(c(c1)Cl)C

STK549509
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (3,5- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C)C

STK549510
Synonyms: 2,4- bis(5- chloro- 2- nitrophenoxy)- 3,5,6- trifluoropyridine
Smiles: Clc1ccc(c(c1)Oc1nc(F)c(c(c1F)Oc1cc(Cl)ccc1[N+](=O)[O-])F)[N+](=O)[O-]

STK549512
Synonyms: 1,3- diethyl- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- ylacetyl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CCn1c(O)c(C(=O)CC2NCCc3c2cccc3)c(=O)n(c1=S)CC

STK549513
Synonyms: 1- (piperidin- 1- yl)- 3- (2,4,6- trichlorophenoxy)propan- 2- ol
Smiles: OC(CN1CCCCC1)COc1c(Cl)cc(cc1Cl)Cl

STK549515
Synonyms: N- benzyl- 2- imino- 1- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: O=C(c1cc2c(n(c1=N)C)nc1n(c2=O)cccc1)NCc1ccccc1

STK549517
Synonyms: N'- [11- (4- tert- butylphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]- N,N- diethylbenzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(C)(C)C)c(nn1c1ccccc1)C)CC

STK549520
Synonyms: 2- (prop- 2- en- 1- ylsulfanyl)- 3- propyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCn1c(SCC=C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549521
Synonyms: 10- methyl- N,8- diphenyl- 11- (3,4,5- trimethoxyphenyl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cc(cc(c1OC)OC)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1)nc1c2cccc1

STK549522
Synonyms: N- {[2- (furan- 2- ylcarbonyl)hydrazinyl]carbonothioyl}- 5- methyl- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: S=C(NC(=O)c1c(C)onc1c1ccccc1)NNC(=O)c1ccco1

STK549524
Synonyms: (8R,8aS,11aR)- 8- acetyl- 10- (4- methylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2C2N1N=Cc1c2cccc1)c1ccc(cc1)C

STK549526
Synonyms: ethyl5- methoxy- 3- {[3- (pyrrolidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC1)cc(cc2)OC

STK549527
Synonyms: N- (1- phenylpropan- 2- yl)- 2- [(5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl)sulfanyl]acetamide
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)NC(Cc1ccccc1)C

STK549528
Synonyms: 4- ({[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}methyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)CSc1nnc(s1)SCc1ccccc1

STK549530
Synonyms: ethyl1,2- dimethyl- 5- {2- oxo- 2- [(2Z)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]ethoxy}- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OCC(=O)N/N=C/1\C(=O)Nc3c1cccc3)cc2)C

STK549531
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- ({1- [3- (4- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK549533
Synonyms: (5- bromofuran- 2- yl)[5- (4- bromophenyl)- 3'- (4- methylphenyl)- 1'- phenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]methanone
Smiles: Brc1ccc(o1)C(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)Br

STK549535
Synonyms: 2- [4- (2,6- dimethylmorpholin- 4- yl)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc2ccccc2c(n1)N1CC(C)OC(C1)C

STK549536
Synonyms: 3- {[(E)- (5- chloro- 2- hydroxy- 3- nitrophenyl)methylidene]amino}- 2- methylquinazolin- 4(3H)- one
Smiles: Clc1cc(/C=N/n2c(C)nc3c(c2=O)cccc3)c(c(c1)[N+](=O)[O-])O

STK549538
Synonyms: 5- ethyl- 3- (prop- 2- en- 1- ylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: C=CCSc1nnc2n1c(CC)nc1c2c2CCCc2s1

STK549540
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (4- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK549541
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (3- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549542
Synonyms: 3- [(3- fluorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1cccc(c1)F)nn2)CCCC3

STK549544
Synonyms: 2- (4- chlorophenyl)- 3- {2- [2- (4- iodophenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1ccc(cc1)I

STK549546
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {4- methoxy- 3- [(2,4,6- trichlorophenoxy)methyl]phenyl}methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK549547
Synonyms: N- (4- bromophenyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: Brc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK549549
Synonyms: 2- methoxyethyl2- amino- 1- (2,3- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1C)C

STK549551
Synonyms: ethyl7- chloro- 3- methyl- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1C)cccc2Cl

STK549553
Synonyms: ethyl3- {[2- (4- benzylpiperidin- 1- yl)propanoyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CCC(CC1)Cc1ccccc1)C)cc(c(c2)OC)OC

STK549554
Synonyms: 5- [4- (hexyloxy)phenyl]- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK549555
Synonyms: N~2~- [3- (dimethylamino)propyl]- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CN(CCCNc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-])C

STK549556
Synonyms: (2Z)- 1- acetyl- 2- {[6- methyl- 2- (piperidin- 1- yl)quinolin- 3- yl]methylidene}- 1,2- dihydro- 3H- indol- 3- one
Smiles: Cc1ccc2c(c1)cc(c(n2)N1CCCCC1)/C=C/1\N(C(=O)C)c2c(C1=O)cccc2

STK549558
Synonyms: 3- bromo- 2- oxo- N- [(1R)- 1- phenylethyl]- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)N[C@@H](c1ccccc1)C

STK549559
Synonyms: 1- [4- (acetylamino)phenyl]- 2- amino- N- butyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)NC(=O)C

STK549562
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[2,5- dimethyl- 1- (naphthalen- 1- yl)- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(n(c2C)c2cccc3c2cccc3)C)/C1=O)C

STK549563
Synonyms: (4bR,7aS,8R)- 6- (naphthalen- 2- yl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)c1ccccc1

STK549564
Synonyms: 11- (3- methoxypropyl)- 2- methyl- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COCCCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK549565
Synonyms: N'- [11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]- N,N- diethylbenzene- 1,4- diamine
Smiles: CCOc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)N(CC)CC)c1ccccc1

STK549566
Synonyms: (2E)- 3- (4- fluorophenyl)- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop- 2- enamide
Smiles: S=C(NC(=O)/C=C/c1ccc(cc1)F)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549568
Synonyms: 2- [(1,3- benzodioxol- 5- ylmethyl)sulfanyl]- 7- tert- butyl- 3- (3- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C

STK549569
Synonyms: (8R,8aS,11aR)- 10- (2,4- dimethoxyphenyl)- 8- [(4- methoxyphenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1OC)OC)cccc3

STK549570
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- (4- methylphenyl)methylidene]acetohydrazide
Smiles: Cc1ccc(cc1)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK549571
Synonyms: 2- benzyl- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: c1ccc(cc1)Cc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK549572
Synonyms: 4- (6- {[4- (diethylamino)phenyl]amino}- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl)- 2- methoxyphenol
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C)CC

STK549573
Synonyms: 4- butyl- N- cyclohexyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3NC1CCCCC1

STK549574
Synonyms: 2- ({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1CSc1nc2c(s1)cccc2

STK549575
Synonyms: 5- ethyl- 3- (heptylsulfanyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCCCCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK549576
Synonyms: 3- (3- chlorophenyl)- 1- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCCc3sc2n(c1=O)C

STK549578
Synonyms: (4bR,7aS,8R)- 6- (2,4- dichlorophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Clc1ccc(c(c1)Cl)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK549580
Synonyms: 4- butoxy- N'- [2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(SC)nc2c1c1CCCCc1s2

STK549581
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK549582
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- methoxy- 5- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[N+](=O)[O-]

STK549583
Synonyms: 4- [4- (2,3,5,6- tetrafluoropyridin- 4- yl)piperazin- 1- yl]aniline
Smiles: Nc1ccc(cc1)N1CCN(CC1)c1c(F)c(F)nc(c1F)F

STK549585
Synonyms: 4- methyl- N- (naphthalen- 1- yl)- 3- [4- (propan- 2- yloxy)phenyl]pentanamide
Smiles: O=C(Nc1cccc2c1cccc2)CC(c1ccc(cc1)OC(C)C)C(C)C

STK549587
Synonyms: 11- (4- methoxybenzyl)- 3- (2- methoxyphenyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)Cn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)c1ccccc1OC

STK549588
Synonyms: (5Z)- 2- [(4- methylphenyl)amino]- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2ccc(cc2)C)cc(c1OC)OC

STK549589
Synonyms: 12- benzyl- 9- (benzylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C1(CCCCC1)Cc1c2cccc1)Cc1ccccc1

STK549591
Synonyms: 3- acetyl- 5- (2- methoxyphenyl)- 1- (3- methylphenyl)- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: COc1ccccc1N1C(=O)C2C(C1=O)N(N=C2C(=O)C)c1cccc(c1)C

STK549592
Synonyms: (5Z)- 3- (2- bromophenyl)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1Br

STK549593
Synonyms: 2- amino- N- (3- methylphenyl)- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK549595
Synonyms: (4aS,4bR,7aS,8R)- 6- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2ccc3c(c2)OCCO3)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK549596
Synonyms: 4- (biphenyl- 4- yloxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2ccc(cc2)c2ccccc2)c2c(n1)cccc2)C

STK549597
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [3- bromo- 5- ethoxy- 4- (naphthalen- 1- ylmethoxy)phenyl]methylidene}- 5- (phenoxymethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OCc1cccc2c1cccc2)Br

STK549599
Synonyms: (2E)- 2- cyano- N- (3,4- dichlorophenyl)- 2- [(5E)- 5- (2- methoxybenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=c/1\s/c(=C/c2ccccc2OC)/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)Cl)Cl

STK549600
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (3,5- dimethylpiperidin- 1- yl)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CC(C)CC(C1)C)c(n2Cc1ccccc1)C

STK549601
Synonyms: 5- (4- bromophenyl)- 1- (4- nitrophenyl)- 3- phenyl- 3a,6a- dihydropyrrolo[3,4- c]pyrazole- 4,6(1H,5H)- dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK549602
Synonyms: methyl{[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc(SC)nc2c1c1CCCCc1s2

STK549603
Synonyms: N- {3- (2- methoxyphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propyl}thiophene- 2- carboxamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCNC(=O)c1cccs1

STK549604
Synonyms: methyl4- {6- [(4- chlorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)Cl)nc1c2cccc1

STK549605
Synonyms: (4bR,7aS,8R)- 8- [(4- methoxyphenyl)carbonyl]- 6- (naphthalen- 2- yl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2

STK549606
Synonyms: 2- chloro- 10- [3- chloro- 2,5- difluoro- 6- (piperidin- 1- yl)pyridin- 4- yl]- 10H- phenothiazine
Smiles: Clc1ccc2c(c1)N(c1c(F)c(nc(c1Cl)F)N1CCCCC1)c1c(S2)cccc1

STK549607
Synonyms: 2- (4- butoxyphenyl)- 6,6- dimethyl- 4- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=C)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549608
Synonyms: 2- (4- ethylphenyl)- 5,6- diphenyl- 1- (2- phenylethyl)- 1H- imidazo[1,2- a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c(n1CCc1ccccc1)nc(c2c1ccccc1)c1ccccc1

STK549609
Synonyms: 5- (4- fluorophenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK549610
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 8- fluoro- N- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1cc(CCN(c2ncnc3c2[nH]c2c3cc(cc2)F)C)ccc1OC

STK549612
Synonyms: 2- amino- N- (2- methylpropyl)- 1- [3- (trifluoromethyl)phenyl]- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CC(CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(F)(F)F)C

STK549614
Synonyms: N- {(Z)- (4- fluorophenyl)[(phenylsulfonyl)imino]methyl}glycine
Smiles: OC(=O)CN/C(=N\S(=O)(=O)c1ccccc1)/c1ccc(cc1)F

STK549615
Synonyms: 5- ethyl- 10,10- dimethyl- 3- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCc1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CC(OC3)(C)C

STK549616
Synonyms: 3- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (3- nitrophenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]phenyl4- nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cccc(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK549617
Synonyms: 2- (4- butoxyphenyl)- 6,6- dimethyl- 4- [(2- phenylethyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK549619
Synonyms: 11- benzyl- 3- (2- methoxyphenyl)- 2- methyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccccc1n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

STK549620
Synonyms: 2- {[(4- bromophenyl)sulfonyl]amino}- 1- hexyl- N- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCn1c(NS(=O)(=O)c2ccc(cc2)Br)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccccc1

STK549621
Synonyms: methyl2- [(7- hexyl- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]propanoate
Smiles: CCCCCCn1c(SC(C(=O)OC)C)nc2c1c(=O)[nH]c(=O)n2C

STK549622
Synonyms: furan- 2- yl[5- phenyl- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: O=C(N1N=C(CC1c1ccccc1)c1cccs1)c1ccco1

STK549623
Synonyms: 4- (4- chlorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolin- 8- yl2,4- dichlorobenzoate
Smiles: Clc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)OC(=O)c1ccc(cc1Cl)Cl

STK549624
Synonyms: 2- {(2Z)- 2- [3,5- bis(4- methylphenyl)cyclohex- 2- en- 1- ylidene]hydrazinyl}- 4- phenylquinazoline
Smiles: Cc1ccc(cc1)C1C/C(=N/Nc2nc3ccccc3c(n2)c2ccccc2)/C=C(C1)c1ccc(cc1)C

STK549625
Synonyms: 1- (2- chlorophenoxy)- 3- (2- methyl- 1H- imidazol- 1- yl)propan- 2- ol
Smiles: OC(Cn1ccnc1C)COc1ccccc1Cl

STK549626
Synonyms: 2- [(E)- 2- (1,3- benzodioxol- 5- yl)ethenyl]- 6- iodo- 3- (3- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1cccc(c1)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cc(cc2)I

STK549627
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (3- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549628
Synonyms: 4- fluoro- N- ({2- [(5- methyl- 3- phenyl- 1,2- oxazol- 4- yl)carbonyl]hydrazinyl}carbonothioyl)benzamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)NNC(=O)c1c(C)onc1c1ccccc1

STK549629
Synonyms: 3- (4- chlorophenyl)- 5- [(2,5- dimethylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nnc1c1ccc(cc1)Cl

STK549630
Synonyms: [4- (2,4- dichlorophenyl)- 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinolin- 8- yl](2- methylpiperidin- 1- yl)methanone
Smiles: Clc1ccc(c(c1)Cl)C1Nc2ccc(cc2C2C1CC=C2)C(=O)N1CCCCC1C

STK549632
Synonyms: 6- ethyl- 6- methyl- 12- pentyl- 9- (pentylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC1(C)CC

STK549634
Synonyms: N- (4- acetylphenyl)- 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK549636
Synonyms: (3aR,6aS)- 5- (3- bromophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-]

STK549637
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549638
Synonyms: 4- chloro- N- {3- [4- (3- chlorophenyl)piperazin- 1- yl]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl

STK549639
Synonyms: 4- chloro- N- [3- cyano- 1- (2- methoxyphenyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl]benzenesulfonamide
Smiles: N#Cc1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)c1ccccc1OC

STK549642
Synonyms: 2- [(E)- 2- (2- methylphenyl)ethenyl]- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1cccc2c1cccc2

STK549644
Synonyms: 5- ethyl- 5- methyl- 3- (2- phenylethyl)- 2- (propylsulfanyl)- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: CCCSc1nc2c3ccccc3CC(c2c(=O)n1CCc1ccccc1)(C)CC

STK549645
Synonyms: (6aS,6bR,9aS,10R)- 8- (2- fluorophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccccc1F)C=Cc1c2cccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK549646
Synonyms: 11- benzyl- 2- ethyl- 3- (tetrahydrofuran- 2- ylmethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCc1nc2n(Cc3ccccc3)c3c(c2c(=O)n1CC1CCCO1)nc1c(n3)cccc1

STK549647
Synonyms: 4- {[(1'S,2'S,3R,3a'R)- 2- oxo- 2'- (pyridin- 2- ylcarbonyl)- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 1'- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1

STK549648
Synonyms: (4bR,7aS,8R)- 6- (2- methoxy- 5- nitrophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2C=CC=N1)C(=O)c1ccccc1)[N+](=O)[O-]

STK549650
Synonyms: 3- (2- methoxybenzyl)- 11- (4- methoxybenzyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)Cn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1OC

STK549651
Synonyms: 2- {[2- hydroxy- 3- (2- methylphenoxy)propyl]carbamoyl}benzoicacid
Smiles: OC(CNC(=O)c1ccccc1C(=O)O)COc1ccccc1C

STK549652
Synonyms: 8- bromo- 3- ({(E)- [4- (decyloxy)phenyl]methylidene}amino)- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCCCCCCCOc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK549653
Synonyms: N- (2- ethoxyphenyl)- 10- methyl- 8,11- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1c(C2c2ccccc2)c(nn1c1ccccc1)C

STK549654
Synonyms: 9- (2- methylphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: Cc1ccccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549655
Synonyms: 6- chloro- N- (4- methoxyphenyl)pyridazin- 3- amine
Smiles: COc1ccc(cc1)Nc1ccc(nn1)Cl

STK549656
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549657
Synonyms: 4- {4- [4- (butan- 2- yl)phenoxy]- 6- methyl- 5- nitropyrimidin- 2- yl}morpholine
Smiles: CCC(c1ccc(cc1)Oc1nc(nc(c1[N+](=O)[O-])C)N1CCOCC1)C

STK549658
Synonyms: 3- [(4- chlorobenzyl)sulfanyl]- 5- (methylsulfanyl)- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Cl)nn2)CC(OC3)C(C)C

STK549661
Synonyms: (5Z)- 3- (2- chlorophenyl)- 5- (2,3- dimethoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK549662
Synonyms: 11- (2- methoxyphenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccccc1C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK549663
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)C)nnc1c1cccnc1

STK549665
Synonyms: 2,4- dichloro- N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK549667
Synonyms: 2- amino- 1- [(4- hexylphenyl)sulfanyl]anthracene- 9,10- dione
Smiles: CCCCCCc1ccc(cc1)Sc1c(N)ccc2c1C(=O)c1ccccc1C2=O

STK549670
Synonyms: 2- methoxyethylcyano{3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N

STK549673
Synonyms: 3,3,3- trifluoro- 2- hydroxy- 2- (1H- indol- 3- yl)- 1- (piperidin- 1- yl)propan- 1- one
Smiles: O=C(C(C(F)(F)F)(c1c[nH]c2c1cccc2)O)N1CCCCC1

STK549674
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)NCCc1ccccc1

STK549675
Synonyms: N- benzyl- 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: O=C(NCc1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK549678
Synonyms: 1- (4- bromophenyl)- 2- {[6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK549679
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: COc1cc(CCNC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)C(C)CC4)ccc1OC

STK549680
Synonyms: 2- (4- chlorophenyl)- 5- (2- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccccc1C

STK549681
Synonyms: ethyl4- {2- [(E)- 2- (2- fluorophenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccccc2F)nc2c(c1=O)cc(cc2)I

STK549683
Synonyms: 4- [(2,6- dichlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3c(Cl)cccc3Cl)nc(nc1s2)SC

STK549684
Synonyms: (5Z)- 5- [(1- {3- [4- (butan- 2- yl)phenoxy]propyl}- 1H- indol- 3- yl)methylidene]- 1- (furan- 2- ylmethyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)OCCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccco1)C

STK549685
Synonyms: (5E)- 1- tert- butyl- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=O)NC(=O)N(C1=O)C(C)(C)C

STK549686
Synonyms: 3- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 8- nitro- 2H- chromen- 2- one
Smiles: Clc1ccc(c(c1)Cl)c1csc(n1)c1cc2cccc(c2oc1=O)[N+](=O)[O-]

STK549688
Synonyms: 4- ({(E)- 2- cyano- 2- [4- (4- ethoxyphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/C#N

STK549689
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [3- (2- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccccc2C)/C1=O

STK549690
Synonyms: 2- (4- chlorophenyl)- 3- [6- (2,4- dichlorophenoxy)hexyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccc(cc1Cl)Cl

STK549691
Synonyms: 2- {[8,8- dimethyl- 11- (morpholin- 4- yl)- 7,10- dihydro- 8H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nnc2n1cnc1c2sc2c1c1CC(C)(C)OCc1c(n2)N1CCOCC1)CC

STK549694
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- methyl- 4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[N+](=O)[O-]

STK549695
Synonyms: N~4~- (4- chlorophenyl)- N~2~,N~2~- dimethyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Clc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(C)C

STK549696
Synonyms: N- [(1E)- 1- (3,4- diethoxyphenyl)- 3- (methylamino)- 3- oxoprop- 1- en- 2- yl]benzamide
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)NC)/NC(=O)c1ccccc1

STK549697
Synonyms: 4- (benzyloxy)- N- {(5Z)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK549699
Synonyms: N,4- dibutyl- N- methyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3N(CCCC)C

STK549700
Synonyms: N~4~- (2- fluorophenyl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK549701
Synonyms: N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]- 2- (1- oxo- 4- phenylphthalazin- 2(1H)- yl)acetamide
Smiles: O=C(Cn1nc(c2ccccc2)c2c(c1=O)cccc2)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK549702
Synonyms: N,N- dimethyl- N'- (8- methyl- 5H- pyrimido[5,4- b]indol- 4- yl)ethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1[nH]c1c2cc(cc1)C)C

STK549703
Synonyms: 3- benzyl- 2- [(2,4- dichlorobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCC3

STK549705
Synonyms: ethyl5,6- dimethoxy- 3- [(3- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}propanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C/C=C/c1ccccc1)cc(c(c2)OC)OC

STK549706
Synonyms: (2E)- 3- {[2- (difluoromethoxy)phenyl]amino}- 2- [4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1ccc(c(c1)OC)OC

STK549707
Synonyms: 3- (2- chlorophenyl)- 6- iodo- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1ccccc1Cl

STK549708
Synonyms: 1- (3,5- dimethylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(C)cc(c1)C

STK549709
Synonyms: 2- {5- [(Z)- {4,6- dioxo- 1- [4- (propan- 2- yl)phenyl]- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene}methyl]- 2- methoxybenzyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(C)C

STK549710
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK549711
Synonyms: 2- hydrazinyl- 3- (4- methylphenyl)quinoxaline
Smiles: NNc1nc2ccccc2nc1c1ccc(cc1)C

STK549712
Synonyms: 3- chloro- N- (2- {(2E)- 2- [1- (furan- 2- yl)ethylidene]hydrazinyl}- 2- oxoethyl)benzamide(non- preferredname)
Smiles: O=C(N/N=C(/c1ccco1)\C)CNC(=O)c1cccc(c1)Cl

STK549713
Synonyms: 4- {6- [(4- chlorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK549714
Synonyms: 1- (4- {3- sulfanyl- 5- [3- (thiophen- 2- yl)- 1H- pyrazol- 5- yl]- 4H- 1,2,4- triazol- 4- yl}phenyl)ethanone
Smiles: CC(=O)c1ccc(cc1)n1c(S)nnc1c1[nH]nc(c1)c1cccs1

STK549715
Synonyms: (5E)- 1- (2- ethylphenyl)- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)C)/C1=O

STK549717
Synonyms: (4Z)- 4- [(2E)- 3- (4- nitrophenyl)prop- 2- en- 1- ylidene]- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\C=C\c1ccc(cc1)[N+](=O)[O-])c1cccs1

STK549718
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 6,8- diphenyl- 5,8- dihydro- 6H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: Fc1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK549720
Synonyms: 2- [(4- amino- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)Nc1ccc(cc1)C

STK549722
Synonyms: N- [(4E)- 6- (1,3- benzodioxol- 5- yl)- 8- ethoxy- 1,3- dimethyl- 4H- cyclohepta[c]furan- 4- ylidene]- N'- phenylbenzene- 1,4- diamine
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C)c1ccc2c(c1)OCO2

STK549723
Synonyms: N- [(1E)- 3- {[2- (1H- indol- 3- yl)ethyl]amino}- 1- (4- methylphenyl)- 3- oxoprop- 1- en- 2- yl]- 4- methylbenzamide
Smiles: Cc1ccc(cc1)/C=C(\C(=O)NCCc1c[nH]c2c1cccc2)/NC(=O)c1ccc(cc1)C

STK549724
Synonyms: 12- (2- methylbenzyl)- 9- [(2- methylbenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: Cc1ccccc1CSc1nnc2n1c(=O)c1c(n2Cc2ccccc2C)c2ccccc2CC21CCCC2

STK549725
Synonyms: 2- amino- 1- (3,4- dichlorophenyl)- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)Cl

STK549726
Synonyms: 3- (benzylsulfanyl)- 10- butyl- 7,8,9,11a- tetrahydro- 6bH- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnc1SCc1ccccc1

STK549727
Synonyms: 3- (2- methylpropyl)- 2- (propan- 2- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3)C

STK549728
Synonyms: 2- [4- (4- chlorophenyl)- 1- oxophthalazin- 2(1H)- yl]- N- [5- (3- methyl- 4- oxo- 3,4- dihydrophthalazin- 1- yl)- 2- (morpholin- 4- yl)phenyl]acetamide
Smiles: O=C(Cn1nc(c2ccc(cc2)Cl)c2c(c1=O)cccc2)Nc1cc(ccc1N1CCOCC1)c1nn(C)c(=O)c2c1cccc2

STK549729
Synonyms: N'- [(1E)- 1- (3,4- dimethoxyphenyl)ethylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK549732
Synonyms: N'- [(1Z)- 1- (biphenyl- 4- yl)ethylidene]- 2- ({5- [(4- methylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccc(cc1)C)N/N=C(\c1ccc(cc1)c1ccccc1)/C

STK549733
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549734
Synonyms: 6- iodo- 3- (2- methyl- 5- nitrophenyl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1cccnc1)c1cc(ccc1C)[N+](=O)[O-]

STK549735
Synonyms: 2- bromo- N- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1NC(=O)c1ccccc1Br

STK549736
Synonyms: 1- (dimethylamino)- 3- (2,4,6- trichlorophenoxy)propan- 2- ol
Smiles: OC(CN(C)C)COc1c(Cl)cc(cc1Cl)Cl

STK549737
Synonyms: 8- [(4- chlorobenzyl)sulfanyl]- 5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK549739
Synonyms: 11- (1,3- benzodioxol- 5- ylmethyl)- 2- methyl- 3- pentyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2

STK549741
Synonyms: N- (4- fluorophenyl)- 2- (pyridin- 2- yl)quinazolin- 4- amine
Smiles: Fc1ccc(cc1)Nc1nc(nc2c1cccc2)c1ccccn1

STK549744
Synonyms: 2- {4- [(5- chloro- 2- methoxyphenyl)amino]quinazolin- 2- yl}- 6- methoxyphenol
Smiles: COc1ccc(cc1Nc1nc(nc2c1cccc2)c1cccc(c1O)OC)Cl

STK549745
Synonyms: 2- [(3- ethyl- 6- iodo- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C)nc2c(c1=O)cc(cc2)I

STK549746
Synonyms: 4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccccc2)c2nonc2N)cc(c1OC(=O)C)OC

STK549747
Synonyms: N- (2- methoxyphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK549749
Synonyms: 2- (methoxycarbonyl)phenyl1- chloro- 4- (4- chlorophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)Cl)Sc1ccccc1[N+](=O)[O-]

STK549751
Synonyms: (2'R,3'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK549752
Synonyms: N- (2,4- dichlorophenyl)- 2- {[2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)Nc1ccc(cc1Cl)Cl)C

STK549754
Synonyms: (5Z)- 5- ({1- [2- (3,5- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- fluorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2cc(C)cc(c2)C)/C1=O

STK549755
Synonyms: N- (2,5- dichlorophenyl)- N- [3- (dimethylamino)- 2- hydroxypropyl]- 4- methylbenzenesulfonamide
Smiles: CN(CC(CN(S(=O)(=O)c1ccc(cc1)C)c1cc(Cl)ccc1Cl)O)C

STK549756
Synonyms: 9- (2- methoxyphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: COc1ccccc1n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK549757
Synonyms: (2E)- 2- [(5E)- 5- (3- bromo- 4- hydroxy- 5- methoxybenzylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- N- (3- chlorophenyl)- 2- cyanoethanamide
Smiles: COc1cc(cc(c1O)Br)/C=c\1/s/c(=C(/C(=O)Nc2cccc(c2)Cl)\C#N)/n(c1=O)c1ccccc1

STK549758
Synonyms: 4- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]benzoicacid
Smiles: S=C1S/C(=C\c2cccs2)/C(=O)N1c1ccc(cc1)C(=O)O

STK549759
Synonyms: 3- amino- 1,1- bis(butylsulfanyl)- 4,7- dihydro- 1H- 4,7- ethanoisoindole- 3a,7a- dicarbonitrile
Smiles: CCCCSC1(SCCCC)N=C(C2(C1(C#N)C1CCC2C=C1)C#N)N

STK549760
Synonyms: propan- 2- yl2- amino- 1- (3- chloro- 4- fluorophenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)F)C

STK549761
Synonyms: {1- chloro- 4- (3- nitrophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinolin- 8- yl}(2- methylpiperidin- 1- yl)methanone
Smiles: ClC1C(CC2C1c1cc(ccc1NC2c1cccc(c1)[N+](=O)[O-])C(=O)N1CCCCC1C)Sc1ccccc1[N+](=O)[O-]

STK549762
Synonyms: ethyl4- {[(2Z)- 2- cyano- 2- (4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\SCC(=O)N1c1ccccc1)/C#N

STK549763
Synonyms: 7,7- dimethyl- 1- [2- (morpholin- 4- yl)ethyl]- 2- phenyl- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: S=c1nc(c2ccccc2)n(c2c1COC(C2)(C)C)CCN1CCOCC1

STK549765
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- ({1- [2- (2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccccc2C)/C1=O)C

STK549766
Synonyms: 5- amino- 1,2- diphenyl- 1,2- dihydro- 3H- pyrrole- 3,3,4- tricarbonitrile
Smiles: N#CC1=C(N)N(C(C1(C#N)C#N)c1ccccc1)c1ccccc1

STK549767
Synonyms: 2- {[5- (methylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc4c1cccc4)nn2)CCCC3

STK549768
Synonyms: methyl4- {10- methyl- 6- [(3- methylphenyl)amino]- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1cccc(c1)C)nc1c2cccc1

STK549769
Synonyms: ethyl(8- cyclohexyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetate
Smiles: CCOC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C1CCCCC1

STK549770
Synonyms: 8- (2- methylprop- 2- en- 1- yl)- 9- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 5,8- dihydronaphtho[2',1':4,5]thieno[2,3- d]pyrimidin- 7(6H)- one
Smiles: CC(=C)Cn1c(SCC(=O)N2CCCCC2)nc2c(c1=O)c1CCc3c(c1s2)cccc3

STK549772
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxyquinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCC(CC1)Cc1ccccc1)c1ccc(c(c1)OC)OC

STK549775
Synonyms: tert- butyl(2'R,3'R)- 2'- (3,4- dimethoxyphenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: COc1ccc(cc1OC)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549777
Synonyms: (4bR,7aS,8R)- 6- (4- bromophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK549778
Synonyms: N- {4- [(2,6- dimethoxypyrimidin- 4- yl)sulfamoyl]phenyl}- 2- {[5- (4- methoxyphenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(o1)SCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(OC)nc(n1)OC

STK549779
Synonyms: (4bR,7aS,8R)- 6- (4- chlorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK549780
Synonyms: 4- {6- [(4- ethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)OC)O)c(nn1c1ccccc1)C

STK549781
Synonyms: 2- {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- methyl- N- phenylacetamide
Smiles: CCCCOc1ccc(cc1)c1nc(SCC(=O)N(c2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)C

STK549782
Synonyms: 2- (ethylsulfanyl)- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549783
Synonyms: 8- bromo- 3- {[(E)- (4- methoxyphenyl)methylidene]amino}- 2- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc(cc1)/C=N/n1c(C)nc2c(c1=O)[nH]c1c2cc(cc1)Br

STK549784
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- ({1- [2- (4- chlorophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2CCOc2ccc(cc2)Cl)/C1=O)C

STK549787
Synonyms: N- (2- methoxy- 5- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)C

STK549788
Synonyms: (4aR,4bS,7aR,8S)- 6- (2- chloro- 5- nitrophenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1

STK549790
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (2- methylpropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CC(CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F)C

STK549794
Synonyms: 1- amino- N- (2,4- dichlorophenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK549795
Synonyms: 2- {[6- iodo- 4- oxo- 3- (prop- 2- en- 1- yl)- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)cc(cc2)I

STK549798
Synonyms: 4- amino- N- (3- chloropyrazin- 2- yl)benzenesulfonamide
Smiles: Clc1nccnc1NS(=O)(=O)c1ccc(cc1)N

STK549799
Synonyms: 2- amino- 1- [2- (4- methoxyphenyl)ethyl]- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)CCc1ccc(cc1)OC

STK549801
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549802
Synonyms: 3- (furan- 2- ylmethyl)- 2- (hexylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549803
Synonyms: N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]propanamide
Smiles: CCC(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK549805
Synonyms: N- (2,4- dichlorophenyl)- 2- [4- (propan- 2- yloxy)phenyl]quinazolin- 4- amine
Smiles: CC(Oc1ccc(cc1)c1nc(Nc2ccc(cc2Cl)Cl)c2c(n1)cccc2)C

STK549806
Synonyms: ethyl2- {[({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]amino}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: C=CCn1c(SCC(=O)Nc2nc(c(s2)C(=O)OCC)C)nnc1CSc1nc2c(s1)cccc2

STK549807
Synonyms: N- (4- chlorophenyl)- 11- (3- methoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1

STK549808
Synonyms: N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]butanamide
Smiles: CCCC(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK549809
Synonyms: (5Z)- 2- [(2,3- dimethylphenyl)amino]- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2cccc(c2C)C)cc(c1OC)OC

STK549810
Synonyms: 3- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 7,8- dimethoxy- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)/N=C/c1ccc(cc1Cl)Cl

STK549811
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- 1- (pyrrolidin- 1- yl)ethanone
Smiles: O=C(N1CCCC1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK549813
Synonyms: 1- [(1R,2S,3R)- 2- (4- bromophenyl)- 1- nitro- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazin- 3- yl]- 2,2- dimethylpropan- 1- one
Smiles: [O-][N+](=O)[C@@H]1[C@@H](c2ccc(cc2)Br)[C@@H](N2C1c1ccccc1C=N2)C(=O)C(C)(C)C

STK549814
Synonyms: ethyl3- {[3- (4- benzylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)Cc1ccccc1)cccc2

STK549818
Synonyms: methyl(2E)- (2- phenylhydrazinylidene)[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethanoate
Smiles: COC(=O)/C(=N\Nc1ccccc1)/Sc1nnnn1c1ccccc1

STK549820
Synonyms: 2- {1- [4- (2- methylpropyl)phenyl]ethyl}- 1- (naphthalen- 2- ylmethyl)- 1H- benzimidazole
Smiles: CC(Cc1ccc(cc1)C(c1nc2c(n1Cc1ccc3c(c1)cccc3)cccc2)C)C

STK549821
Synonyms: ethyl3- {[3- (4- phenylpiperazin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1)cccc2

STK549824
Synonyms: 3- {2- amino- 3- [(propan- 2- yloxy)carbonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}benzoicacid
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)C(=O)O)C

STK549826
Synonyms: 2- amino- N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 1- (2- methylpropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CC(Cn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCC1=CCCCC1)C

STK549827
Synonyms: (2'R,3'R)- 3'- (2,2- dimethylpropanoyl)- 2,2- dimethyl- 2'- (4- nitrophenyl)- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC(OC2=O)(C)C)cccc3

STK549828
Synonyms: 2- amino- 1- (4- fluorobenzyl)- N- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(cc1)F

STK549829
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,4- dimethylphenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK549832
Synonyms: 2- methoxy- 4- {10- methyl- 6- [(3- methylphenyl)amino]- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}phenol
Smiles: COc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK549835
Synonyms: 2- methoxyethyl[3- (azepan- 1- yl)quinoxalin- 2- yl](cyano)acetate
Smiles: COCCOC(=O)C(c1nc2ccccc2nc1N1CCCCCC1)C#N

STK549838
Synonyms: 2- [(4- fluorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccc(cc1)F)C

STK549839
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- anthracen- 9- ylmethylidene]- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c2ccccc2cc2c1cccc2

STK549840
Synonyms: 2- (3- bromophenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: Brc1cccc(c1)c1nc2n(n1)cnc1c2C2(CCCCC2)Cc2c1cccc2

STK549841
Synonyms: 3- (2- phenylethyl)- 2- (propan- 2- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(Sc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)C

STK549843
Synonyms: 2- (2- fluorophenyl)- 4- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]quinazoline
Smiles: COc1ccccc1/C=N/Nc1nc(nc2c1cccc2)c1ccccc1F

STK549847
Synonyms: 2- [(4- chlorophenoxy)methyl]- 1- (naphthalen- 2- ylmethyl)- 1H- benzimidazole
Smiles: Clc1ccc(cc1)OCc1nc2c(n1Cc1ccc3c(c1)cccc3)cccc2

STK549850
Synonyms: 1- chloro- N,N- diethyl- 4- (4- nitrophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxamide
Smiles: CCN(C(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-])CC

STK549851
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- ethyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK549852
Synonyms: methyl2- {[(2- ethoxy- 2- oxoethyl)carbamoyl]amino}benzoate
Smiles: CCOC(=O)CNC(=O)Nc1ccccc1C(=O)OC

STK549855
Synonyms: (2'R,3'R)- 2'- (3,4- dimethoxyphenyl)- 3'- (2,2- dimethylpropanoyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1OC)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2)C(=O)C(C)(C)C

STK549856
Synonyms: N- benzyl- 1- (2- hydroxyethyl)- 2- imino- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: OCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccccc1

STK549857
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3

STK549858
Synonyms: 1- amino- N- (4- bromophenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK549860
Synonyms: 2- {2- [(4- butyl- 2,3,5a,10b- tetrahydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl)sulfanyl]ethyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCCN1C(=O)c2c(C1=O)cccc2

STK549861
Synonyms: 2- (4- {(1E)- 1- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]ethyl}- 2- methoxyphenoxy)acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C(=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N)/C

STK549862
Synonyms: propan- 2- ylcyano{3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: N#CC(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC(C)C

STK549863
Synonyms: 11- (3,5- dimethylphenyl)- 2- ethyl- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCc1nc2n(c3cc(C)cc(c3)C)c3c(c2c(=O)n1C(c1ccccc1)C)nc1c(n3)cccc1

STK549865
Synonyms: 7- benzyl- 8- {[2- (dimethylamino)ethyl]amino}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(CCNc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)C

STK549867
Synonyms: N- (3- methylphenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK549869
Synonyms: (2,2- diphenylcyclopropyl)(morpholin- 4- yl)methanone
Smiles: O=C(C1CC1(c1ccccc1)c1ccccc1)N1CCOCC1

STK549870
Synonyms: 4- (benzyloxy)- N- {(5Z)- 5- [4- (octyloxy)benzylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}benzamide
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)OCc1ccccc1

STK549872
Synonyms: 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SC/C=C/c1ccccc1

STK549875
Synonyms: ethyl4- {6- iodo- 4- oxo- 2- [(E)- 2- phenylethenyl]quinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccccc2)nc2c(c1=O)cc(cc2)I

STK549876
Synonyms: 2- methoxy- 4- [3- (piperidin- 1- yl)prop- 1- yn- 1- yl]phenol
Smiles: COc1cc(C#CCN2CCCCC2)ccc1O

STK549877
Synonyms: N'- [(3Z)- 5- bromo- 2- oxo- 1- {[2- (pyridin- 3- yl)piperidin- 1- yl]methyl}- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (2,3- dimethylphenoxy)acetohydrazide
Smiles: O=C(COc1cccc(c1C)C)N/N=C/1\C(=O)N(c2c1cc(Br)cc2)CN1CCCCC1c1cccnc1

STK549879
Synonyms: 3- {2,4- dioxo- 5- [2- oxo- 2- (1,3- thiazol- 2- ylamino)ethyl]- 1,3- thiazolidin- 3- yl}propanoicacid
Smiles: O=C(CC1SC(=O)N(C1=O)CCC(=O)O)Nc1nccs1

STK549882
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK549883
Synonyms: 2- {[6,6- dimethyl- 3- (3- methylphenyl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C

STK549884
Synonyms: 2- [(E)- 2- (2- hydroxyphenyl)ethenyl]- 6- iodo- 3- (naphthalen- 1- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1O)c1cccc2c1cccc2

STK549886
Synonyms: 2,7- bis[(dipropylamino)methyl]- 1,8- bis(4- propoxyphenyl)octane- 1,8- dione
Smiles: CCCN(CC(C(=O)c1ccc(cc1)OCCC)CCCCC(C(=O)c1ccc(cc1)OCCC)CN(CCC)CCC)CCC

STK549887
Synonyms: ethyl3- {[2- (3,5- dimethylpiperidin- 1- yl)propanoyl]amino}- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C(N1CC(C)CC(C1)C)C)cc(c(c2)OC)OC

STK549890
Synonyms: 3- (2,3- dimethoxyphenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1c(OC)cccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK549891
Synonyms: 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: CSc1nc(SCC(=O)Nc2ccccc2)c2c(n1)sc1c2CCCC1

STK549892
Synonyms: (4bR,7aS,8R)- 6- (2,4- dimethylphenyl)- 8- (phenylcarbonyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)N=CC=C1

STK549893
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 5- hydrazinyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C

STK549894
Synonyms: N- [2- (ethylamino)ethyl]- 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: CCNCCNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3

STK549895
Synonyms: N- (2- methoxyphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccccc1NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK549896
Synonyms: 8- [(2- chlorobenzyl)sulfanyl]- 5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1ccccc1CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK549898
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 8- methyl- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)NCCC1=CCCCC1

STK549899
Synonyms: 5- [5- (4- methoxyphenyl)- 3- (thiophen- 2- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1cccs1

STK549900
Synonyms: 2- (3,4- dimethoxyphenyl)- 7- ethoxy- 6- methoxy- 4- (4- phenylpiperazin- 1- yl)quinazoline
Smiles: CCOc1cc2nc(nc(c2cc1OC)N1CCN(CC1)c1ccccc1)c1ccc(c(c1)OC)OC

STK549901
Synonyms: 3- (4- bromophenyl)- 7- (naphthalen- 2- yl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Brc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK549903
Synonyms: 2- [(E)- 2- (4- hydroxyphenyl)ethenyl]- 3- (2- phenylethyl)quinazolin- 4(3H)- one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK549905
Synonyms: ethyl7- [({4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}acetyl)amino]- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)cc1c(c2)OCO1

STK549906
Synonyms: N- (diphenylmethyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549907
Synonyms: N- (3- chloro- 4- methylphenyl)- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Cc1nn(c2c1C(c1ccco1)n1c(=N2)c(Nc2ccc(c(c2)Cl)C)nc2c1cccc2)c1ccccc1

STK549909
Synonyms: 2- (2- fluorophenyl)- 4- {(2Z)- 2- [1- (4- methoxyphenyl)ethylidene]hydrazinyl}quinazoline
Smiles: COc1ccc(cc1)/C(=N\Nc1nc(nc2c1cccc2)c1ccccc1F)/C

STK549910
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3)CCC

STK549911
Synonyms: ethyl7- ({[4- (ethoxycarbonyl)piperazin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc1OCOc1c2)C(=O)OCC

STK549912
Synonyms: 2- [(3- methylbutyl)sulfanyl]- 3- (2- phenylethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3)C

STK549914
Synonyms: (5Z)- 3- (2- chlorophenyl)- 5- (4- ethoxy- 3- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1Cl

STK549915
Synonyms: 6- iodo- 3- (naphthalen- 1- yl)- 2- {(E)- 2- [4- (propan- 2- yl)phenyl]ethenyl}quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)C(C)C)c1cccc2c1cccc2

STK549917
Synonyms: N- (4- chlorophenyl)- 10- methyl- 8- phenyl- 11- (thiophen- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cccs1)C)c1ccccc1

STK549918
Synonyms: 2- amino- N- (1,3- benzodioxol- 5- ylmethyl)- 1- (4- fluorobenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)Cn1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccc2c(c1)OCO2

STK549920
Synonyms: N~6~- (2,3- dichlorophenyl)- N~4~- ethyl- 7- nitro- 2,1,3- benzoxadiazole- 4,6- diamine
Smiles: CCNc1cc(Nc2cccc(c2Cl)Cl)c(c2c1non2)[N+](=O)[O-]

STK549921
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCC3

STK549922
Synonyms: 2- ethyl- 11- (4- methoxybenzyl)- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: COc1ccc(cc1)Cn1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK549923
Synonyms: ethyl5- bromo- 3- ({3- [4- (2,3- dimethylphenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1C)C)cc(cc2)Br

STK549925
Synonyms: ethyl7- ({[4- (ethoxycarbonyl)piperidin- 1- yl]acetyl}amino)- 5H- [1,3]dioxolo[4,5- f]indole- 6- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc1OCOc1c2)C(=O)OCC

STK549926
Synonyms: 1- butyl- 2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)CC

STK549927
Synonyms: (9E)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 9- (4- methoxybenzylidene)- 5- (4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: COc1ccc(cc1)C1C2=C(N=c3n1c(cs3)c1ccc3c(c1)OCCO3)/C(=C/c1ccc(cc1)OC)/CN(C2)C

STK549928
Synonyms: 11- (3,5- dimethylphenyl)- 2- methyl- 3- (1- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cc(C)cc(c1)n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)C(c1ccccc1)C

STK549932
Synonyms: N- {(1E)- 1- (3,4- diethoxyphenyl)- 3- [(4- methylphenyl)amino]- 3- oxoprop- 1- en- 2- yl}- 4- methoxybenzamide
Smiles: CCOc1cc(ccc1OCC)/C=C(\C(=O)Nc1ccc(cc1)C)/NC(=O)c1ccc(cc1)OC

STK549933
Synonyms: 4- phenyl- 2H- [1,3,5]triazino[2,1- b][1,3]benzothiazole- 2- thione
Smiles: S=c1nc2sc3c(n2c(n1)c1ccccc1)cccc3

STK549934
Synonyms: 2- (ethoxycarbonyl)phenyl1- chloro- 4- (4- nitrophenyl)- 2- [(2- nitrophenyl)sulfanyl]- 2,3,3a,4,5,9b- hexahydro- 1H- cyclopenta[c]quinoline- 8- carboxylate
Smiles: CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C(Cl)C(CC1C(N2)c1ccc(cc1)[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

STK549935
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK549937
Synonyms: 2- (4- chlorophenyl)- 3- [5- (2,4- dichlorophenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1Cl)Cl

STK549938
Synonyms: (5E)- 1- (2,4- dimethylphenyl)- 5- (furan- 2- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)C)N1C(=O)NC(=O)/C(=C\c2ccco2)/C1=O

STK549939
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,5- dimethoxyphenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OC

STK549940
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- {[1- (2- methylbenzyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2C)/C1=O

STK549941
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK549942
Synonyms: 2- {[6- iodo- 3- (2- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2ccc(cc2c(=O)n1c1ccccc1C)I

STK549943
Synonyms: 4- chloro- N- {1- (3,5- dimethylphenyl)- 3- [(4- methylphenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)c1cc(C)cc(c1)C

STK549945
Synonyms: N- (2,4- dimethylphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549946
Synonyms: 2- chloro- N- (4- methoxyphenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccc(cc1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STK549947
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (4- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C)C

STK549948
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- phenyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK549949
Synonyms: 3- (4- methoxyphenyl)- 2- [(4- methylbenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549950
Synonyms: 1- [(3- octyl- 1H- 1,2,4- triazol- 5- yl)sulfanyl]propan- 2- one
Smiles: CCCCCCCCc1n[nH]c(n1)SCC(=O)C

STK549951
Synonyms: (5E)- 1- (3- chloro- 4- methylphenyl)- 5- [4- (dimethylamino)- 3- nitrobenzylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(c(c1)Cl)C

STK549952
Synonyms: 2- chloro- 3- [3- (3,4- dimethoxyphenyl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 7- methoxyquinoline
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1S(=O)(=O)C)c1ccc(c(c1)OC)OC)Cl

STK549954
Synonyms: 1- methoxypropan- 2- yl2- amino- 1- (3,4- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)C)C)C

STK549955
Synonyms: 7,8- dimethoxy- 3- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1cc2c(cc1OC)[nH]c1c2[nH]c(=O)n(c1=O)/N=C/C(=C/c1ccccc1)/C

STK549956
Synonyms: N- (4- chlorophenyl)- 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK549957
Synonyms: 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]- N- (2- phenylethyl)acetamide
Smiles: CCn1c(SCC(=O)NCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK549958
Synonyms: (4- methoxyphenyl)[(1R,2S,3R)- 2- (4- methoxyphenyl)- 1- nitro- 1,2,3,10b- tetrahydropyrrolo[2,1- a]phthalazin- 3- yl]methanone
Smiles: COc1ccc(cc1)C(=O)[C@H]1[C@H](c2ccc(cc2)OC)[C@H](C2N1N=Cc1c2cccc1)[N+](=O)[O-]

STK549960
Synonyms: N~2~,N~4~- bis(2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: Fc1ccccc1Nc1nc(N)c(c(n1)Nc1ccccc1F)[N+](=O)[O-]

STK549961
Synonyms: 2- [(4- amino- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- phenylbutan- 2- yl)acetamide
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCC(=O)NC(CCc1ccccc1)C

STK549963
Synonyms: 1- (1H- benzimidazol- 2- ylmethoxy)- 3- (1- benzofuran- 2- yl)quinoxalin- 2(1H)- one4- oxide
Smiles: [O-][n+]1c(c2cc3c(o2)cccc3)c(=O)n(c2c1cccc2)OCc1nc2c([nH]1)cccc2

STK549964
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (2,3- dihydro- 1H- indol- 1- ylmethyl)- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

STK549965
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- amine
Smiles: CC(c1nc2sc3c(c2c2c1CCC2)ncnc3NCCN1CCOCC1)C

STK549966
Synonyms: 4- [(8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 9,11- dioxo- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 10(11H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK549968
Synonyms: 2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)- N- [3- (pyrrolidin- 1- ylsulfonyl)phenyl]acetamide
Smiles: O=C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)Nc1cccc(c1)S(=O)(=O)N1CCCC1

STK549969
Synonyms: 11- (4- ethoxyphenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccccc1)nc1c2cccc1

STK549973
Synonyms: 4- {6- [(2- ethoxyphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}- 2- methoxyphenol
Smiles: CCOc1ccccc1Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)OC)O)C)c1ccccc1

STK549974
Synonyms: 8- [(3- methoxypropyl)amino]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCCNc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O

STK549975
Synonyms: 5- (morpholin- 4- yl)- 9- (pyridin- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: O=c1c2sc3c(c2ncn1c1ccccn1)c1CCCCc1c(n3)N1CCOCC1

STK549977
Synonyms: 1- amino- N- (3,4- dichlorophenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1ccc(c(c1)Cl)Cl

STK549979
Synonyms: 4- bromo- 2- {6- [(4- chlorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}phenol
Smiles: Brc1ccc(c(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)c1ccccc1)O

STK549980
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(SCC(=O)NCCc3ccccc3)nc(nc1s2)SC

STK549981
Synonyms: 5- [3- chloro- 4- (propan- 2- yloxy)benzyl]- 4- phenyl- 4H- 1,2,4- triazole- 3- thiol
Smiles: CC(Oc1ccc(cc1Cl)Cc1nnc(n1c1ccccc1)S)C

STK549982
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (2,2- dimethylpropanoyl)- 2'- (furan- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: O=C([C@@H]1[C@H](N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C(=O)C(C)(C)C)c1ccco1

STK549983
Synonyms: 3- [5- (2- chloro- 4- methylphenoxy)pentyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1Cl)C

STK549984
Synonyms: 3- (2,5- dimethylphenyl)- 11- (4- ethoxyphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCOc1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)c1cc(C)ccc1C

STK549985
Synonyms: 6- chloro- N- ({4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}carbonothioyl)pyridine- 3- carboxamide
Smiles: S=C(N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc(nc1)Cl

STK549986
Synonyms: 3- [3- (2- bromo- 4,6- dimethylphenoxy)propyl]- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(C)cc(cc1Br)C

STK549987
Synonyms: tert- butyl(2'S,3'R)- 2'- (2,4- dichlorophenyl)- 1,3- dioxo- 1,2',3,3'- tetrahydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 3'- carboxylate
Smiles: Clc1ccc(c(c1)Cl)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)c1ccccc1C=N2

STK549988
Synonyms: 2- {[4- (4- methylphenyl)- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: O=C(NC(Cc1ccccc1)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCC3

STK549989
Synonyms: 4- {(E)- [2- ({[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}acetyl)hydrazinylidene]methyl}- 2,6- dimethoxyphenylacetate
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(s2)SCc2ccccc2)cc(c1OC(=O)C)OC

STK549990
Synonyms: 2- [(4- tert- butylphenoxy)methyl]- 1- (4- phenoxybutyl)- 1H- benzimidazole
Smiles: CC(c1ccc(cc1)OCc1nc2c(n1CCCCOc1ccccc1)cccc2)(C)C

STK549991
Synonyms: 2- {[2- (3,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)OC)OC)nc2c(c1=O)cccc2

STK549992
Synonyms: (5Z)- 5- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 1- (3- chloro- 4- methylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C

STK549993
Synonyms: 1- amino- N- (2- methylphenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1ccccc1C

STK549994
Synonyms: 4- {6- [(4- butylphenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)O)O)c(nn1c1ccccc1)C

STK549995
Synonyms: 8- methoxy- 2- methyl- 3- {[(E)- (4- nitrophenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1nc(C)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)[N+](=O)[O-]

STK549996
Synonyms: 5- cyano- N- (2- fluorophenyl)- 4- (furan- 2- yl)- 6- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 2- methyl- 1,4- dihydropyridine- 3- carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)OC)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1F)C

STK549997
Synonyms: 2- [(3- ethyl- 6- iodo- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N,N- dipropylacetamide
Smiles: CCCN(C(=O)CSc1nc2ccc(cc2c(=O)n1CC)I)CCC

STK549998
Synonyms: ethylthieno[2,3- b]quinoline- 2- carboxylate
Smiles: CCOC(=O)c1cc2c(s1)nc1c(c2)cccc1

STK550001
Synonyms: (4aS,4bR,7aS,8R)- 8- [(3- nitrophenyl)carbonyl]- 6- [3- (trifluoromethyl)phenyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc(c1)[N+](=O)[O-]

STK550002
Synonyms: N- (2- iodophenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)Nc1ccccc1I

STK550003
Synonyms: 11- (3- bromophenyl)- 10- methyl- N,8- diphenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1)c1ccccc1

STK550005
Synonyms: ethyl5- bromo- 3- {[3- (4- carbamoylpiperidin- 1- yl)propanoyl]amino}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCC(CC1)C(=O)N)cc(cc2)Br

STK550007
Synonyms: (8R,8aS,11aR)- 10- (2- chlorophenyl)- 8- [(4- chlorophenyl)carbonyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3

STK550008
Synonyms: ethyl4- {2- [(E)- 2- (4- chlorophenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(cc2)Cl)nc2c(c1=O)cc(cc2)I

STK550009
Synonyms: N- carbamoyl- 4- {[(E)- 2- cyano- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}ethenyl]amino}benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc(cc1)CC(C)C

STK550010
Synonyms: N- (4- acetylphenyl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK550011
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550012
Synonyms: 3- (1,3- benzodioxol- 5- ylmethyl)- 11- (3,5- dimethylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Cc1cc(C)cc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc2c(c1)OCO2

STK550013
Synonyms: 1- [2- (3,4- dimethoxyphenyl)ethyl]- 3- [(4- fluorophenyl)sulfonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)F

STK550015
Synonyms: 1- methoxypropan- 2- yl1- (3- acetylphenyl)- 2- amino- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: COCC(OC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(=O)C)C

STK550016
Synonyms: 7,8- dimethoxy- 3- ({(E)- [4- methoxy- 3- (pyrrolidin- 1- ylmethyl)phenyl]methylidene}amino)- 1H- pyrimido[5,4- b]indole- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(c(c1)OC)OC

STK550020
Synonyms: (5Z)- 1- (2,5- dimethoxyphenyl)- 5- {3- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 4- methoxybenzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(c(c1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=O)OC

STK550021
Synonyms: ethyl5- bromo- 3- ({3- [4- (ethoxycarbonyl)piperidin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCC(=O)Nc1c([nH]c2c1cc(Br)cc2)C(=O)OCC

STK550022
Synonyms: (4bR,7aS,8R)- 8- [(4- methoxyphenyl)carbonyl]- 6- phenyl- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK550023
Synonyms: 2- [(6- iodo- 4- oxo- 3- phenyl- 3,4- dihydroquinazolin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)SCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1

STK550025
Synonyms: 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]- 1- (4- fluorophenyl)pyrrolidine- 2,5- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC(C1=O)Cn1nc(cc1C)C

STK550026
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(s1)SCc1cccc2c1cccc2

STK550029
Synonyms: 2- (4- methoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK550030
Synonyms: (9E)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 7- methyl- 3- phenyl- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)Cl)/C2=C(C1)C(c1ccc(cc1)Cl)n1c(=N2)scc1c1ccccc1

STK550031
Synonyms: 2- ({5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)- N'- [(1Z)- 1- (2,4- dichlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(\c1ccc(cc1Cl)Cl)/C)CSc1nnc(s1)SCc1ccc(cc1)Cl

STK550032
Synonyms: 4- (benzylsulfanyl)- 6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CSc1nc(SCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK550033
Synonyms: methyl1- acetyl- 7- (4- chloro- 3- fluorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(c(c1)F)Cl)C(=O)C

STK550034
Synonyms: 3- [3- (furan- 2- yl)- 1- (methylsulfonyl)- 4,5- dihydro- 1H- pyrazol- 5- yl]- 6- methylquinolin- 2(1H)- one
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)C1CC(=NN1S(=O)(=O)C)c1ccco1

STK550038
Synonyms: 5- (3- methoxyphenyl)- 3- (4- methoxyphenyl)- 2,3a- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccccc1)C(=O)N(C2=O)c1cccc(c1)OC)c1ccccc1

STK550039
Synonyms: 4- bromo- N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: Brc1ccc(cc1)C(=O)NN1C(=S)S/C(=C\c2cccc(c2)F)/C1=O

STK550042
Synonyms: 1- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 3- (2,4,6- trichlorophenoxy)propan- 2- ol
Smiles: OC(Cn1nc(cc1C)C)COc1c(Cl)cc(cc1Cl)Cl

STK550043
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccccc1Cl)C

STK550044
Synonyms: methyl2- {[(2- methoxyphenyl)carbonyl]amino}- 4- methyl- 5- phenylthiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccccc2OC)sc(c1C)c1ccccc1

STK550045
Synonyms: 2- [(3- fluorobenzyl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1cccc(c1)F

STK550046
Synonyms: 3- (4- methoxyphenyl)- 5- (4- methylphenyl)- 2,3a- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(cc1)C1N(OC2C1(c1ccccc1)C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK550047
Synonyms: 1- (5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- {4- [(2E)- 3- phenylprop- 2- en- 1- yl]piperazin- 1- yl}ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)C/C=C/c1ccccc1)c([nH]2)C

STK550048
Synonyms: 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CC(=C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550049
Synonyms: 5- (4- ethylphenyl)- 3- (4- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)OC)O)c1ccccc1

STK550050
Synonyms: 3- iodo- N- [2- (naphthalen- 2- yl)imidazo[1,2- a]pyridin- 3- yl]benzamide
Smiles: Ic1cccc(c1)C(=O)Nc1c(nc2n1cccc2)c1ccc2c(c1)cccc2

STK550051
Synonyms: 1- amino- N- (3- methylphenyl)- 5- (morpholin- 4- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1

STK550054
Synonyms: (2E)- 3- {[2- (difluoromethoxy)phenyl]amino}- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC(F)F)/c1scc(n1)c1ccc(cc1C)C

STK550055
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550057
Synonyms: N- (3- methoxyphenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550058
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- [2- (trifluoromethyl)phenyl]- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1C(F)(F)F)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK550059
Synonyms: (2'R,3'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (4- nitrophenyl)- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)cccc3

STK550064
Synonyms: (2'R,3'R)- 2'- (4- methoxyphenyl)- 3'- [(4- methoxyphenyl)carbonyl]- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)OC)C(=O)OC(OC2=O)(C)C)cccc3

STK550065
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK550067
Synonyms: 6- ethyl- 6- methyl- 12- propyl- 9- (propylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCCSc1nnc2n1c(=O)c1c(n2CCC)c2ccccc2CC1(C)CC

STK550073
Synonyms: 5- (2- acetyl- 1,2,3,4- tetrahydroisoquinolin- 1- yl)- 3- butyl- 6- hydroxy- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: CCCCn1c(=S)[nH]c(c(c1=O)C1N(CCc2c1cccc2)C(=O)C)O

STK550076
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- [(E)- (2,3- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(s1)SCc1ccccc1)N/N=C/c1cccc(c1Cl)Cl

STK550077
Synonyms: (5Z)- 1- (3- chloro- 4- methoxyphenyl)- 5- ({1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(cc2)C)/C1=O

STK550079
Synonyms: 2- [(3- fluorobenzyl)sulfanyl]- 6,6- dimethyl- 3- (3- methylphenyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1cccc(c1)n1c(SCc2cccc(c2)F)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK550080
Synonyms: 2,4- dichloro- N- [(2- methoxydibenzo[b,d]furan- 3- yl)carbamothioyl]benzamide
Smiles: COc1cc2c(cc1NC(=S)NC(=O)c1ccc(cc1Cl)Cl)oc1c2cccc1

STK550081
Synonyms: (4aS,4bR,7aS,8R)- 6- (2- methoxy- 5- nitrophenyl)- 8- [(3- nitrophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1)[N+](=O)[O-]

STK550083
Synonyms: N- (4- acetylphenyl)- 2- {[3- (4- methoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK550084
Synonyms: 1- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCc1c(Cl)cccc1Cl

STK550085
Synonyms: 2- [(5- oxo- 4- phenyl- 4,5,7,8- tetrahydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3

STK550086
Synonyms: 4- {6- [(4- chlorophenyl)amino]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl}benzene- 1,2- diol
Smiles: Clc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(c(c1)O)O)C)c1ccccc1

STK550087
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- ({1- [3- (3- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCCOc2cccc(c2)C)/C1=O

STK550089
Synonyms: N- (4- bromophenyl)- 11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)Br)nc1c2cccc1

STK550090
Synonyms: (2'R,3'R)- 2'- (2,3- dimethoxyphenyl)- 3'- [(4- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1cccc(c1OC)OC)C(=O)c1c(C2=O)cccc1)cccc3

STK550092
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- (4- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550095
Synonyms: 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK550096
Synonyms: 3- chloro- N- (2- formyl- 6,6- dimethylbicyclo[3.1.1]hept- 2- en- 3- yl)- 1- benzothiophene- 2- carboxamide
Smiles: O=CC1=C(NC(=O)c2sc3c(c2Cl)cccc3)CC2CC1C2(C)C

STK550097
Synonyms: 3- (3- nitrophenyl)- 7- phenyl- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccccc1)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK550098
Synonyms: N- (4- bromophenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCC3

STK550099
Synonyms: 5- [3- (6- bromo- 2- oxo- 4- phenyl- 1,2- dihydroquinolin- 3- yl)- 5- (4- fluorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)F)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br

STK550101
Synonyms: 2- (diethylamino)ethyl4- ({(Z)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N)CC

STK550102
Synonyms: (5Z)- 5- ({1- [2- (4- chloro- 3- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)CCOc2ccc(c(c2)C)Cl)/C1=O

STK550103
Synonyms: ethyl6- (4- methoxyphenyl)- 2- oxo- 4- phenylcyclohex- 3- ene- 1- carboxylate
Smiles: CCOC(=O)C1C(=O)C=C(CC1c1ccc(cc1)OC)c1ccccc1

STK550106
Synonyms: 1- (4- chlorophenyl)- 2- {[2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CCCC1

STK550107
Synonyms: (5Z)- 5- {[1- (3,4- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 1- (4- ethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(c(c2)Cl)Cl)/C1=O

STK550109
Synonyms: (4bR,7aS,8R)- 6- (3- fluorophenyl)- 8- [(4- methoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=CC=CC2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)F

STK550110
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- phenyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccccc1CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC3

STK550111
Synonyms: [3- (6- chloro- 2- methyl- 4- phenylquinolin- 3- yl)- 5- (2- chlorophenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](phenyl)methanone
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C1=NN(C(C1)c1ccccc1Cl)C(=O)c1ccccc1

STK550112
Synonyms: (6aR,6bS,9aR,10S)- 8- (2- methyl- 5- nitrophenyl)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]

STK550114
Synonyms: 2- [(E)- 2- (3- nitrophenyl)ethenyl]- 3- (2- phenylethyl)quinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK550115
Synonyms: ethyl1- acetyl- 7- (4- ethoxyphenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOc1ccc(cc1)N1C(=O)CC2(C1=O)CC(=NN2C(=O)C)C(=O)OCC

STK550116
Synonyms: 8- [(2,6- dichlorobenzyl)sulfanyl]- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Clc1cccc(c1CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)Cl

STK550117
Synonyms: N,N- diethyl- N'- [11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]benzene- 1,4- diamine
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccco2)c(nn1c1ccccc1)C)CC

STK550120
Synonyms: 3- (4- chlorophenyl)- 6- hydroxy- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)- 2- thioxo- 2,3- dihydropyrimidin- 4(1H)- one
Smiles: Clc1ccc(cc1)n1c(=S)[nH]c(c(c1=O)C1NCCc2c1cccc2)O

STK550121
Synonyms: 3- (2,6- dichlorophenyl)- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1c1c(Cl)cccc1Cl

STK550122
Synonyms: ethyl5,6- dimethoxy- 3- ({3- [4- (2- methoxyphenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(c(c2)OC)OC

STK550123
Synonyms: ethyl5,6- dimethoxy- 3- ({[4- (pyridin- 2- yl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cc(c(c2)OC)OC

STK550124
Synonyms: 9- fluoro- 7- hydroxy- 3- methyl- 5- oxo- N- [3- (piperidin- 1- yl)propyl]- 2,3- dihydro- 1H,5H- pyrido[3,2,1- ij]quinoline- 6- carboxamide
Smiles: Fc1cc2CCC(n3c2c(c1)c(O)c(c3=O)C(=O)NCCCN1CCCCC1)C

STK550125
Synonyms: 10,10- dimethyl- 5- (methylsulfanyl)- 3- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SC/C=C/c1ccccc1)nn2)CC(OC3)(C)C

STK550126
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- N'- [(1Z)- 1- phenylethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: C/C(=N/NC(=O)c1nnn(c1COc1ccccc1)c1nonc1N)/c1ccccc1

STK550128
Synonyms: 3- butyl- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCCC)CCCC3

STK550129
Synonyms: 3- {3- [(2- chloronaphthalen- 1- yl)oxy]propyl}- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1c(Cl)ccc2c1cccc2

STK550131
Synonyms: N- (4- iodophenyl)- 7- (4- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- amine
Smiles: CC1CCN(CC1)c1cc(Nc2ccc(cc2)I)c(c2c1non2)[N+](=O)[O-]

STK550133
Synonyms: 5- [(4- methoxy- 3- nitrobenzyl)sulfanyl]- 2- methyl- 4- nitro- 1H- imidazole
Smiles: COc1ccc(cc1[N+](=O)[O-])CSc1[nH]c(nc1[N+](=O)[O-])C

STK550134
Synonyms: (2E)- N- (2- {(2Z)- 2- [1- (4- chlorophenyl)ethylidene]hydrazinyl}- 2- oxoethyl)- 3- phenylprop- 2- enamide(non- preferredname)
Smiles: O=C(N/N=C(\c1ccc(cc1)Cl)/C)CNC(=O)/C=C/c1ccccc1

STK550135
Synonyms: N- (2,4- dimethylphenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2C)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550137
Synonyms: 1,1'- methanediylbis{3- [3- (dipropylamino)- 2- hydroxypropyl]- 5,5- dimethylimidazolidine- 2,4- dione}
Smiles: CCCN(CC(CN1C(=O)N(C(C1=O)(C)C)CN1C(=O)N(C(=O)C1(C)C)CC(CN(CCC)CCC)O)O)CCC

STK550139
Synonyms: propan- 2- yl2- amino- 1- (2,3- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1C)C)C

STK550140
Synonyms: 2- [(10- butyl- 7,8,9,11a- tetrahydro- 6bH- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (2,4- dichlorophenyl)acetamide
Smiles: CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncn1c3nnc1SCC(=O)Nc1ccc(cc1Cl)Cl

STK550141
Synonyms: 1- (4- chlorophenyl)- 2- {[6,6- dimethyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK550142
Synonyms: (2E)- N- [(9,10- dioxo- 9,10- dihydroanthracen- 2- yl)carbamothioyl]- 3- (4- methoxyphenyl)prop- 2- enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

STK550143
Synonyms: 3- bromo- N- (naphthalen- 1- yl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)Nc1cccc2c1cccc2

STK550144
Synonyms: N- [(Z)- {[(4- chlorophenyl)sulfonyl]imino}(4- fluorophenyl)methyl]glycine
Smiles: OC(=O)CN/C(=N\S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)F

STK550145
Synonyms: 1- (2- methylphenyl)- 3- {5- [(4- propylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}urea
Smiles: CCCc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccccc1C

STK550146
Synonyms: N- carbamoyl- 4- ({(Z)- 2- cyano- 2- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=O)N)/c1scc(n1)c1ccc(cc1C)C

STK550149
Synonyms: 1- [(4- chlorobenzyl)sulfanyl]- 4- (3- methylphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCc1ccc(cc1)Cl)C(C)C

STK550150
Synonyms: ethyl3- ethyl- 3- methyl- 1- [(phenylacetyl)amino]- 3,4- dihydronaphthalene- 2- carboxylate
Smiles: CCOC(=O)C1=C(NC(=O)Cc2ccccc2)c2ccccc2CC1(C)CC

STK550154
Synonyms: 2- (heptylsulfanyl)- 6- iodo- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: CCCCCCCSc1nc2ccc(cc2c(=O)n1c1ccc(cc1)OC)I

STK550155
Synonyms: 4- {2- amino- 3- [(propan- 2- yloxy)carbonyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}benzoicacid
Smiles: CC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C(=O)O)C

STK550156
Synonyms: 2- (8- methyl- 1,2,3a,4,5,6- hexahydro- 3H- pyrazino[3,2,1- jk]carbazol- 3- yl)acetohydrazide
Smiles: NNC(=O)CN1CCn2c3C1CCCc3c1c2ccc(c1)C

STK550157
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK550158
Synonyms: methyl2- {[(3- methoxynaphthalen- 2- yl)carbonyl]amino}- 4,5- dimethylthiophene- 3- carboxylate
Smiles: COc1cc2ccccc2cc1C(=O)Nc1sc(c(c1C(=O)OC)C)C

STK550159
Synonyms: (2E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Cl

STK550160
Synonyms: 2- [(3- methylbenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCn1c(SCc2cccc(c2)C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550161
Synonyms: 2- {(2Z)- 2- [(2E)- (4- chlorobenzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O)Nc1cccc(c1)C(F)(F)F

STK550162
Synonyms: (5Z)- 1- (4- fluorophenyl)- 5- ({1- [2- (4- methoxyphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F

STK550163
Synonyms: pentyl[(2- ethyl- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl)sulfanyl]acetate
Smiles: CCCCCOC(=O)CSc1nc(CC)nc2c1c1CC(C)(C)OCc1s2

STK550164
Synonyms: ethyl1- {3- [1- cyano- 2- oxo- 2- (prop- 2- en- 1- yloxy)ethyl]quinoxalin- 2- yl}piperidine- 4- carboxylate
Smiles: C=CCOC(=O)C(c1nc2ccccc2nc1N1CCC(CC1)C(=O)OCC)C#N

STK550165
Synonyms: ethyl3- ({3- [4- (3- chlorophenyl)piperazin- 1- yl]propanoyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(c(c2)OC)OC

STK550166
Synonyms: methyl(2E)- {(2Z)- 2- [1- cyano- 2- oxo- 2- (phenylamino)ethylidene]- 4- oxo- 3- phenyl- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: N#C/C(=c\1/s/c(=C/C(=O)OC)/c(=O)n1c1ccccc1)/C(=O)Nc1ccccc1

STK550167
Synonyms: prop- 2- en- 1- yl2- amino- 1- (2,3- dimethylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxylate
Smiles: C=CCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1C)C

STK550168
Synonyms: 1- (2- bromoprop- 2- en- 1- yl)- 2- ethyl- 1H- benzimidazole
Smiles: CCc1nc2c(n1CC(=C)Br)cccc2

STK550169
Synonyms: N- (diphenylmethyl)- 2- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)sulfanyl]acetamide
Smiles: O=C(NC(c1ccccc1)c1ccccc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK550170
Synonyms: 2- {[4- (4- methylphenyl)- 5- oxo- 4,5,7,8- tetrahydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCC3

STK550171
Synonyms: N- [4- (acetylamino)phenyl]- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550172
Synonyms: ethyl2- ({(Z)- 2- cyano- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]ethenyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(N/C=C(\c2scc(n2)c2cc3ccccc3oc2=O)/C#N)sc2c1CCCC2

STK550173
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {5- chloro- 2- [(2- chloro- 6- fluorobenzyl)oxy]phenyl}methylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)OCc1c(F)cccc1Cl

STK550174
Synonyms: 7- {[2- (4- methylpiperidin- 1- yl)ethyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCN(CC1)CCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK550175
Synonyms: 4- {3- [4- (dimethylamino)phenyl]- 4,6- dioxo- 2- phenylhexahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl}benzoicacid
Smiles: CN(c1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)C(=O)O)C

STK550176
Synonyms: (2E)- 3- (4- bromophenyl)- N- {[2- (pyridin- 3- yl)piperidin- 1- yl]carbamothioyl}prop- 2- enamide
Smiles: S=C(NN1CCCCC1c1cccnc1)NC(=O)/C=C/c1ccc(cc1)Br

STK550183
Synonyms: methyl{(4E)- 4- [(2E)- (5- {2- [(4- bromophenyl)amino]- 2- oxoethyl}- 4- oxo- 1,3- thiazolidin- 2- ylidene)hydrazinylidene]- 2- oxo- 1,3- thiazolidin- 5- yl}acetate
Smiles: COC(=O)CC1SC(=O)N/C/1=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Br

STK550185
Synonyms: (5E)- 5- [4- (dimethylamino)benzylidene]- 1- (2,5- dimethylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)N(C)C)/C1=O)C

STK550186
Synonyms: 6,6- dimethyl- 3- (4- methylphenyl)- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(SC/C=C/c2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK550187
Synonyms: N'- [2- (methylsulfanyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CSc1nc(NNC(=O)c2ccccc2)c2c(n1)sc1c2CCC1

STK550188
Synonyms: (9E)- 9- (4- chlorobenzylidene)- 5- (4- chlorophenyl)- 7- methyl- 3- (4- methylphenyl)- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccc(cc2)Cl)/C2=C(C1)C(c1ccc(cc1)Cl)n1c(=N2)scc1c1ccc(cc1)C

STK550189
Synonyms: (5Z)- 3- (2- fluorophenyl)- 5- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C/C(=C\c1ccccc1)/C=C/1\SC(=S)N(C1=O)c1ccccc1F

STK550192
Synonyms: N- (4- acetylphenyl)- 2- {[4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C

STK550194
Synonyms: 4- (2- methoxyphenyl)- 3- methyl- 2,6- bis(4- methylphenyl)piperidin- 4- ol
Smiles: COc1ccccc1C1(O)CC(NC(C1C)c1ccc(cc1)C)c1ccc(cc1)C

STK550195
Synonyms: ethyl4- {6- iodo- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK550196
Synonyms: 1- methoxypropan- 2- ylcyano{3- [4- (diphenylmethyl)piperazin- 1- yl]quinoxalin- 2- yl}acetate
Smiles: COCC(OC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N)C

STK550198
Synonyms: 2- amino- N- butyl- 1- (2- methylpropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CC(C)C

STK550199
Synonyms: 2- [(naphthalen- 2- ylmethyl)sulfanyl]- 6- propyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCC1OCc2c(C1)c1c(N)nc(nc1s2)SCc1ccc2c(c1)cccc2

STK550201
Synonyms: (2Z)- 2- [(5Z)- 5- {[5- (3- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (furan- 2- ylmethyl)ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2ccc(o2)c2ccc(c(c2)Cl)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)NCc1ccco1

STK550203
Synonyms: 8- [(4- bromobenzyl)sulfanyl]- 5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Brc1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK550205
Synonyms: 6- ethyl- 6- methyl- 12- (propan- 2- yl)- 9- (propan- 2- ylsulfanyl)- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2C(C)C)nnc1SC(C)C

STK550206
Synonyms: (5Z)- 2- [(4- fluorophenyl)amino]- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1cc(/C=C/2\SC(=NC2=O)Nc2ccc(cc2)F)cc(c1OC)OC

STK550207
Synonyms: ethyl4- {[(2E,5Z)- 5- (2- chloro- 4,5- dimethoxybenzylidene)- 3- methyl- 4- oxo- 1,3- thiazolidin- 2- ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C\1/S/C(=C\c2cc(OC)c(cc2Cl)OC)/C(=O)N1C

STK550208
Synonyms: 2- {(2Z)- 2- [(2E)- (4- chlorobenzylidene)hydrazinylidene]- 4- oxo- 1,3- thiazolidin- 5- yl}- N- (3- chlorophenyl)acetamide
Smiles: O=C(CC1S/C(=N\N=C\c2ccc(cc2)Cl)/NC1=O)Nc1cccc(c1)Cl

STK550209
Synonyms: 2- (4- butoxyphenyl)- 6,6- dimethyl- 4- [(naphthalen- 2- ylmethyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2ccc3c(c2)cccc3)c2c(n1)sc1c2CC(OC1)(C)C

STK550210
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (2- chlorophenyl)- 2- oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccccc1Cl)/Sc1nnnn1c1ccccc1

STK550211
Synonyms: 2- amino- 1- [4- (morpholin- 4- yl)phenyl]- N- octyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)N1CCOCC1

STK550212
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- (2,5- dibromophenyl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1c1cc(Br)ccc1Br

STK550213
Synonyms: 3- [(naphthalen- 2- ylmethyl)sulfanyl]- 6,8,9,10- tetrahydro- 5H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- one
Smiles: O=c1[nH]c2sc3c(c2c2n1c(SCc1ccc4c(c1)cccc4)nn2)CCC3

STK550217
Synonyms: 3- methyl- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cn1cnc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK550218
Synonyms: 4- bromo- 2- (6- {[4- (diethylamino)phenyl]amino}- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 11- yl)phenol
Smiles: CCN(c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cc(Br)ccc1O)C)c1ccccc1)CC

STK550219
Synonyms: 1- amino- 5- (morpholin- 4- yl)- N- (pyridin- 2- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCOCC1)Nc1ccccn1

STK550220
Synonyms: 2- [(5Z)- 5- (2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2ccccc2OC)/C1=O)C(=O)O

STK550221
Synonyms: (6aR,6bS,9aR,10S)- N- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2N1c1ccccc1C=C2)Nc1ccc(cc1)[N+](=O)[O-]

STK550222
Synonyms: 4- [5- (furan- 2- yl)- 3- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)CCC(=O)O

STK550224
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (3- nitrophenyl)- N'- [(E)- (2,4,6- trimethylphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1cc(C)c(c(c1)C)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N

STK550226
Synonyms: (5Z)- 1- (4- ethylphenyl)- 5- {[1- (naphthalen- 1- ylmethyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc3c2cccc3)/C1=O

STK550227
Synonyms: 2- amino- 1- hexyl- N- (3- methylphenyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cccc(c1)C

STK550228
Synonyms: ethyl4- {2- [(E)- 2- (4- bromophenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2ccc(cc2)Br)nc2c(c1=O)cc(cc2)I

STK550229
Synonyms: 2- {[7- (4- methylpiperidin- 1- yl)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenol
Smiles: CC1CCN(CC1)c1cc(Nc2ccccc2O)c(c2c1non2)[N+](=O)[O-]

STK550231
Synonyms: 2- [(2- methylbenzyl)sulfanyl]- 3- (prop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550232
Synonyms: (2E,5Z)- 2- [(2- methylphenyl)imino]- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazolidin- 4- one
Smiles: O=C1N/C(=N\c2ccccc2C)/S/C/1=C\c1cccs1

STK550233
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (naphthalen- 1- ylmethyl)- 1H- indol- 3- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2cccc3c2cccc3)/C1=O)C

STK550235
Synonyms: 2- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 3- ethyl- 6- iodoquinazolin- 4(3H)- one
Smiles: CCn1c(SC/C=C(/Cl)\C)nc2c(c1=O)cc(cc2)I

STK550236
Synonyms: 3- (butylsulfanyl)- 5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCCSc1nnc2n1c(CC)nc1c2c2CC(C)(C)OCc2s1

STK550238
Synonyms: N'- [(1E)- 1- (4- hydroxyphenyl)propylidene]thiophene- 2- carbohydrazide
Smiles: CC/C(=N\NC(=O)c1cccs1)/c1ccc(cc1)O

STK550239
Synonyms: azepan- 1- yl[2- (4- methoxyphenyl)- 6- methylquinolin- 4- yl]methanone
Smiles: COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)N1CCCCCC1)C

STK550240
Synonyms: 3- (4- methoxyphenyl)- 2- (pentylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK550242
Synonyms: 1- [5- (2- chloro- 7- methoxyquinolin- 3- yl)- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: COc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CC)c1ccc(c(c1)OC)OC)Cl

STK550243
Synonyms: (5Z)- 1- [4- (butan- 2- yl)phenyl]- 5- {[1- (2,4- dichlorobenzyl)- 1H- pyrrol- 2- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC(c1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cccn2Cc2ccc(cc2Cl)Cl)/C1=O)C

STK550244
Synonyms: (2E)- 2- [4- (1,3- benzodioxol- 5- yl)- 1,3- thiazol- 2- yl]- 3- [(3,4,5- trimethoxyphenyl)amino]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc2c(c1)OCO2

STK550245
Synonyms: methyl2- {[(3- bromo- 2- oxo- 2H- pyran- 5- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1coc(=O)c(c1)Br

STK550246
Synonyms: 2- (2- {[6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CCC1(C)OCc2c(C1)c1c(SCCN3C(=O)c4c(C3=O)cccc4)nc(nc1s2)SC

STK550247
Synonyms: 6- chloro- N- (4- nitrophenyl)- 4- phenylquinolin- 2- amine
Smiles: Clc1ccc2c(c1)c(cc(n2)Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK550249
Synonyms: 3- [(4- chlorobenzyl)sulfanyl]- 5- (2- chlorophenyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1Cl

STK550250
Synonyms: 4- [4- (dimethylamino)phenyl]- 6- (furan- 2- yl)- 2- oxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(cc1c1ccc(cc1)N(C)C)c1ccco1

STK550251
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK550252
Synonyms: (2E)- 2- [5- (2- chlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (4- ethylphenyl)ethanamide
Smiles: CCc1ccc(cc1)NC(=O)/C(=C\1/SC(C(=O)N1c1ccccc1)Cc1ccccc1Cl)/C#N

STK550253
Synonyms: 3- (2- hydroxy- 5- methylphenyl)- 3- phenyl- N- (2- phenylethyl)propanamide
Smiles: Cc1ccc(c(c1)C(c1ccccc1)CC(=O)NCCc1ccccc1)O

STK550255
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 11- (3,4- dichlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(c(c2)Cl)Cl)c(nn1c1ccccc1)C

STK550256
Synonyms: 4- (3,4- dihydroquinolin- 1(2H)- yl)- 2- (2- fluorophenyl)quinazoline
Smiles: Fc1ccccc1c1nc2ccccc2c(n1)N1CCCc2c1cccc2

STK550257
Synonyms: (5E)- 5- [(1- methyl- 1H- indol- 2- yl)methylidene]- 2- thioxo- 1- [3- (trifluoromethyl)phenyl]dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1NC(=O)/C(=C\c2cc3c(n2C)cccc3)/C(=O)N1c1cccc(c1)C(F)(F)F

STK550258
Synonyms: 2- amino- N- hexyl- 1- (3- methoxypropyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCNC(=O)c1c2nc3ccccc3nc2n(c1N)CCCOC

STK550259
Synonyms: 2,5,6- triphenyl- 1- propyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCCn1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccccc1

STK550261
Synonyms: 2- (diethylamino)ethyl4- ({(Z)- 2- [4- (6- bromo- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 2- cyanoethenyl}amino)benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1cc2cc(Br)ccc2oc1=O)/C#N)CC

STK550262
Synonyms: N'- [(1Z)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]pyridine- 4- carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N\NC(=O)c1ccncc1)/C

STK550263
Synonyms: (5Z)- 1- (4- bromophenyl)- 5- ({[5- (diethylamino)pentan- 2- yl]amino}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCN(CCCC(N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br)C)CC

STK550264
Synonyms: 3- [4- (dimethylamino)phenyl]- 5- (2,4- dimethylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)N(C)C

STK550265
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 4- (prop- 2- en- 1- ylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: C=CCSc1nc(SC)nc2c1c1CC(C)(C)OCc1s2

STK550266
Synonyms: 1- (4- {[7- (dimethylamino)- 4- nitro- 2,1,3- benzoxadiazol- 5- yl]amino}phenyl)ethanone
Smiles: [O-][N+](=O)c1c(Nc2ccc(cc2)C(=O)C)cc(c2c1non2)N(C)C

STK550268
Synonyms: N- (4- acetylphenyl)- 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK550270
Synonyms: 11- (3- chlorophenyl)- 10- methyl- N- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: Clc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1cccc(c1)C)c1ccccc1

STK550273
Synonyms: 7- (4- fluorophenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Fc1ccc(cc1)N1C(=O)CC2(C1=O)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK550274
Synonyms: N'- [(1E)- 1- (4- nitrophenyl)ethylidene]- 2- oxopiperidine- 3- carbohydrazide
Smiles: C/C(=N\NC(=O)C1CCCNC1=O)/c1ccc(cc1)[N+](=O)[O-]

STK550275
Synonyms: N- {3- [(3- chloro- 4- methoxyphenyl)amino]quinoxalin- 2- yl}- 4- methylbenzenesulfonamide
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)C

STK550276
Synonyms: 3- [(4- chlorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Cl)nn2)CC(OC3)(C)C

STK550277
Synonyms: 12- butyl- 9- (butylsulfanyl)- 6- ethyl- 6- methyl- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCCCn1c2c3ccccc3CC(c2c(=O)n2c1nnc2SCCCC)(C)CC

STK550279
Synonyms: 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550280
Synonyms: (2E,2'Z)- N,N'- ethane- 1,2- diylbis{2- [5- (4- chlorobenzyl)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 2- ylidene]- 2- cyanoethanamide}
Smiles: N#C/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)Cl)/C(=O)NCCNC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccc(cc1)Cl)/C#N

STK550282
Synonyms: 6- hydroxy- 2- (octylsulfanyl)- 3- (prop- 2- en- 1- yl)- 5- (1,2,3,4- tetrahydroisoquinolin- 1- yl)pyrimidin- 4(3H)- one
Smiles: C=CCn1c(SCCCCCCCC)nc(c(c1=O)C1NCCc2c1cccc2)O

STK550284
Synonyms: 1- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 7- (propan- 2- yl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(OCc1s2)C(C)C)SCc1c(Cl)cccc1Cl

STK550285
Synonyms: N- (2- ethoxyphenyl)- 11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCOc1ccc(cc1)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccccc1OCC)c1ccccc1

STK550286
Synonyms: 3- (2- phenylethyl)- 2- (propylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK550287
Synonyms: 12- (prop- 2- en- 1- yl)- 9- (prop- 2- en- 1- ylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclopentan]- 7(12H)- one
Smiles: C=CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC=C)CCCC3

STK550288
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (phenoxymethyl)- N'- [(E)- pyridin- 2- ylmethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1COc1ccccc1)C(=O)N/N=C/c1ccccn1

STK550289
Synonyms: 4- (naphthalen- 1- yloxy)- 2- [4- (propan- 2- yloxy)phenyl]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2cccc3c2cccc3)c2c(n1)cccc2)C

STK550291
Synonyms: 1,3- bis(2- methylphenyl)- 5- ({[2- (pyridin- 3- yl)piperidin- 1- yl]amino}methylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1/C(=C/NN2CCCCC2c2cccnc2)/C(=O)N(C(=S)N1c1ccccc1C)c1ccccc1C

STK550292
Synonyms: (3aR,4S,8aS,8bS)- 2- (2- methyl- 5- nitrophenyl)- 4- (phenylcarbonyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: O=C([C@H]1N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])c1ccccc1

STK550293
Synonyms: 7- {[2- (4- benzylpiperazin- 1- yl)ethyl]amino}- 3- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCN1CCN(CC1)Cc1ccccc1)c(=O)c1c(c2=O)cccc1

STK550295
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1c1cccnc1

STK550296
Synonyms: N~4~- (4- methoxyphenyl)- 5- nitro- N~2~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK550297
Synonyms: 2- {[10,10- dimethyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CSc1nc2sc3c(c2c2n1c(SCC(=O)N(c1ccccc1)c1ccccc1)nn2)CC(OC3)(C)C

STK550298
Synonyms: 1- (3- chloro- 4- fluorophenyl)- 3- [(3,5- dimethyl- 1H- pyrazol- 1- yl)methyl]pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccc(c(c1)Cl)F)Cn1nc(cc1C)C

STK550299
Synonyms: 5- (2- chlorophenyl)[1,2,4]triazolo[4,3- c]quinazoline
Smiles: Clc1ccccc1c1nc2ccccc2c2n1cnn2

STK550300
Synonyms: ethyl4- {[11- (4- ethoxyphenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- yl]amino}benzoate
Smiles: CCOc1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccc1)c(Nc1ccc(cc1)C(=O)OCC)nc1c2cccc1

STK550301
Synonyms: (5Z)- 5- {[5- (4- bromophenyl)furan- 2- yl]methylidene}- 1- (3- chloro- 4- methoxyphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)Br)/C1=O

STK550303
Synonyms: 2- (ethylsulfanyl)- 3- (2- methylpropyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCC3

STK550304
Synonyms: ethyl4- {2- [(E)- 2- (5- bromo- 2- hydroxyphenyl)ethenyl]- 6- iodo- 4- oxoquinazolin- 3(4H)- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cc(Br)ccc2O)nc2c(c1=O)cc(cc2)I

STK550305
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 6- (propan- 2- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCc1ccc(cc1Cl)Cl)C

STK550306
Synonyms: 2- (4- {4- [(4- chlorophenyl)amino]phthalazin- 1- yl}phenoxy)- 1- (piperidin- 1- yl)ethanone
Smiles: Clc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)OCC(=O)N1CCCCC1

STK550308
Synonyms: 2- (2- {[2- (4- butoxyphenyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}ethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CCCCOc1ccc(cc1)c1nc(SCCN2C(=O)c3c(C2=O)cccc3)c2c(n1)sc1c2CC(OC1)(C)C

STK550309
Synonyms: ethyl3- {(E)- [4- (ethoxycarbonyl)piperidin- 1- yl]diazenyl}- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)/N=N/c1c([nH]c2c1cccc2)C(=O)OCC

STK550311
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N'- {(E)- [4- (methylsulfanyl)phenyl]methylidene}acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CSc1nnc(s1)SCc1ccccc1

STK550312
Synonyms: 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: CC(Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1)C

STK550314
Synonyms: 2- (cyclohexylamino)- 1- (3,4- dihydroxyphenyl)ethanone
Smiles: O=C(c1ccc(c(c1)O)O)CNC1CCCCC1

STK550315
Synonyms: 4- [(6aS,6bR,9aS,10R)- 10- {[4- (acetyloxy)phenyl]carbonyl}- 7,9- dioxo- 6b,7,9a,10- tetrahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinolin- 8(9H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)c1ccc(cc1)OC(=O)C

STK550316
Synonyms: 1- [3- (2- methylphenoxy)propyl]- 2- {1- [4- (2- methylpropyl)phenyl]ethyl}- 1H- benzimidazole
Smiles: CC(Cc1ccc(cc1)C(c1nc2c(n1CCCOc1ccccc1C)cccc2)C)C

STK550317
Synonyms: 5- [4- (methylsulfanyl)phenyl]- 2- (naphthalen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CSc1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc2c(c1)cccc2

STK550320
Synonyms: ethyl3- ({3- [4- (2- fluorophenyl)piperazin- 1- yl]propanoyl}amino)- 5,6- dimethoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1F)cc(c(c2)OC)OC

STK550322
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- ({5- [(naphthalen- 1- ylmethyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(s1)SCc1cccc2c1cccc2

STK550323
Synonyms: ethyl3- ({3- [4- (4- fluorophenyl)piperazin- 1- yl]propanoyl}amino)- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccc(cc1)F)cc(cc2)OC

STK550324
Synonyms: ethyl1- acetyl- 7- (4- fluorophenyl)- 6,8- dioxo- 1,2,7- triazaspiro[4.4]non- 2- ene- 3- carboxylate
Smiles: CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1ccc(cc1)F)C(=O)C

STK550326
Synonyms: 3- (dec- 9- en- 1- yl)- 5- (octylsulfanyl)- 1H- 1,2,4- triazole
Smiles: CCCCCCCCSc1[nH]nc(n1)CCCCCCCCC=C