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 910 911 912 913 914 915 916 917 918 919 Next

STK589127
Synonyms: 7- (2- ethoxyethyl)- 1,3- dimethyl- 8- [(4- methylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C

STK851059
Synonyms: 1- benzyl- 2- (pyrrolidin- 1- ylcarbonyl)pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)N1CCCC1

STK851061
Synonyms: N- cyclopentyl- 3- (2- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NC1CCCC1

STK589129
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- {3- [(3- methoxypropyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 1H- pyrazole- 3- carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2

STK589130
Synonyms: N- [2- (4- tert- butylphenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C

STK851063
Synonyms: 4- (4- fluorophenyl)- 3- (2- hydroxyphenyl)- 5- (3- methoxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1ccccc1O

STK851064
Synonyms: 4- [(3- acetylphenyl)amino]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(Nc2cccc(c2)C(=O)C)c2ccccc2n(c1=O)C

STK851065
Synonyms: 3- amino- 1- (3- bromophenyl)- 1H- [1,3,5]triazino[1,2- a]quinazolin- 6- ol
Smiles: Brc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1c(n2)O

STK589138
Synonyms: 2- {(E)- [1- (2- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- N- phenylhydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)NN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O

STK851068
Synonyms: 3- (2- methoxyphenyl)- N- (3- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1cccc(c1)Nc1cc(C)nc2n1ncc2c1ccccc1OC

STK589142
Synonyms: (1Z)- 1- {[(3,4- dimethylphenyl)sulfonyl]methylidene}- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN/C(=C\S(=O)(=O)c3ccc(c(c3)C)C)/c2cc1OC

STK589145
Synonyms: N- [4- (azepan- 1- ylsulfonyl)phenyl]- 6- chloro- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK589146
Synonyms: (10aS)- 2- [(4- methylphenyl)sulfonyl]- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: Cc1ccc(cc1)S(=O)(=O)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK851072
Synonyms: methyl4- ({5- [4- (2- hydrazinyl- 2- oxoethoxy)- 2- hydroxyphenyl]- 3- methyl- 1H- pyrazol- 4- yl}oxy)benzoate
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccc(cc1)C(=O)OC)C

STK589153
Synonyms: 5- (2- hydroxy- 4,5- dimethylphenyl)- N- (pyridin- 3- yl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1cccnc1

STK589157
Synonyms: N,N- dimethyl- N'- [2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- yl]ethane- 1,2- diamine
Smiles: CN(CCNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)C)C

STK851073
Synonyms: N- [(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)methanesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)C)c1ccc(cc1)C

STK589160
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- {3- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2

STK851075
Synonyms: methyl3- (2- hydroxyethyl)- 4- oxo- 2- sulfanyl- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: OCCn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC

STK589171
Synonyms: (3aR,6aS)- 3- (4- chlorophenyl)- 5- (2,3- dichlorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1Cl)Cl

STK851078
Synonyms: (2Z)- 3- oxo- 2- (pyridin- 4- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O

STK589179
Synonyms: 3- [(3- methoxypropyl)amino]- 7- methyl- 1- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: COCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C2)C

STK589183
Synonyms: 4- [4- (2,4- dichlorobenzyl)piperazin- 1- yl]- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK589184
Synonyms: 8,10- dimethyl- 4- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]- 2- propylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)CC(=C)C)n2c(n1)c1c(C)cc(nc1n2)C

STK851080
Synonyms: [2- (1,3- benzothiazol- 2- yl)pyridin- 3- yl](4- methylpiperazin- 1- yl)methanone
Smiles: CN1CCN(CC1)C(=O)c1cccnc1c1nc2c(s1)cccc2

STK851081
Synonyms: N- {4- [(6- ethyl- 2,5- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- yl)amino]phenyl}acetamide
Smiles: CCc1c(C)nc2n(c1Nc1ccc(cc1)NC(=O)C)nc(c2c1ccccc1)C

STK589193
Synonyms: 2,2,2- trifluoro- N- [2- methyl- 5- (6- methyl[1,2,4]triazolo[3,4- a]phthalazin- 3- yl)benzyl]acetamide
Smiles: O=C(C(F)(F)F)NCc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1

STK589197
Synonyms: N- (4- {[(6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl](4- methoxyphenyl)sulfamoyl}phenyl)acetamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)NC(=O)C)Cc1cc2cc(OC)ccc2[nH]c1=O

STK589201
Synonyms: tert- butyl(3S)- 3- {[(2S)- 1- (2,3- dihydro- 1,4- benzodioxin- 6- ylamino)- 1- oxopropan- 2- yl]carbamoyl}- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C([C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C)Nc1ccc2c(c1)OCCO2

STK851083
Synonyms: {[3- (3,4- dimethoxyphenyl)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C

STK589206
Synonyms: 9- (3,4- dimethoxyphenyl)- 2,6,6- trimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)(C)C

STK589208
Synonyms: N- (3,5- dichlorophenyl)- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(Nc2cc(Cl)cc(c2)Cl)n2c(n1)c(c1ccccc1)c(n2)C

STK851085
Synonyms: 4- [4- (3- chlorophenyl)piperazin- 1- yl]- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK589214
Synonyms: 3- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 1- phenylpyrrolidine- 2,5- dione
Smiles: S=C1S/C(=C\c2ccccc2)/C(=O)N1C1CC(=O)N(C1=O)c1ccccc1

STK589222
Synonyms: N- [(2E)- 3- (2- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1c1ccccc1Cl)CS(=O)(=O)C2)CCCc1ccccc1

STK589227
Synonyms: N- [(3- oxo- 2- phenyl- 2,3- dihydro- 1H- isoindol- 4- yl)carbonyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1)C

STK589231
Synonyms: N- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1cc2ccccc2oc1=O

STK589232
Synonyms: 4- [(2E)- 2- (2H- chromen- 3- ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/C1=Cc2c(OC1)cccc2

STK589234
Synonyms: 2- (4- methoxyphenyl)- 4- [(4- methylphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)C)CCC1

STK589237
Synonyms: 8- cyclohexyl- 2,5- dimethyl- 3- phenyl- 7,8- dihydro- 6H- pyrazolo[1,5- a]pyrrolo[3,2- e]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc(c1c2N(CC1)C1CCCCC1)C

STK851087
Synonyms: 2,5- dimethyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2O

STK851088
Synonyms: 6- methyl- 4- (morpholin- 4- ylmethyl)- 2H- chromen- 2- one
Smiles: Cc1ccc2c(c1)c(CN1CCOCC1)cc(=O)o2

STK851089
Synonyms: 5- methyl- 3- (4- methylphenyl)- N- (pyridin- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)c1cnn2c1nc(C)cc2NCc1ccccn1

STK589251
Synonyms: 2- (4- methoxyphenyl)- 5- propyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)c1ccc(cc1)OC

STK589256
Synonyms: (3S)- N- {(2S)- 1- [(4- methoxybenzyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK589263
Synonyms: 7- chloro- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1CCC2)ncnc3Cl)C

STK589267
Synonyms: 8- benzyl- 2,5- dimethyl- 3- phenyl- 7,8- dihydro- 6H- pyrazolo[1,5- a]pyrrolo[3,2- e]pyrimidine
Smiles: Cc1nc2n(c3c1CCN3Cc1ccccc1)nc(c2c1ccccc1)C

STK589271
Synonyms: 5- [7- (4- methoxyphenyl)- 2- (methylsulfanyl)- 6,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 5(4H)- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CSc1nn2c(n1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)CC2c1ccc(cc1)OC

STK851090
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1nonc1c1ccc(c(c1)OC)OC

STK589274
Synonyms: 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- ol
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3O)C

STK851091
Synonyms: {[3- (2- ethoxyphenoxy)- 2- methyl- 4- oxo- 4H- chromen- 7- yl]oxy}acetonitrile
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC#N

STK589278
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK589283
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(4- phenoxyphenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccc(cc1)Oc1ccccc1

STK589286
Synonyms: (2Z)- 3- [(5- fluoro- 2- methylphenyl)amino]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(F)ccc1C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK589287
Synonyms: 5- [(4- chlorobenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: Clc1ccc(cc1)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK589288
Synonyms: [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl](5- chloro- 1H- indol- 2- yl)methanone
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK589293
Synonyms: N- cyclohexyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)c1ccccc1)C1CCCCC1

STK589299
Synonyms: 6,7- dimethyl- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1OC)OC)C1NC(=O)c2c1c(=O)c1c(o2)cc(c(c1)C)C

STK589301
Synonyms: 8- (2- ethylphenyl)- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: CCc1ccccc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK589303
Synonyms: 2- (furan- 2- yl)- 12- phenyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)c1ccco1

STK851095
Synonyms: 1- benzyl- 7- methyl- 4- oxo- N- (tetrahydrofuran- 2- ylmethyl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NCC1CCCO1)Cc1ccccc1

STK589307
Synonyms: 4- (2- fluorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (2- hydroxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1cc(C)cc(c1O)C

STK589309
Synonyms: methyl5- fluoro- 3- {[(4- fluoro- 3- methylphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)cc(cc2)F

STK589310
Synonyms: 8- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)n1nc(cc1C)C

STK589315
Synonyms: N- [3- (butanoylamino)phenyl]- 3,4- dimethylbenzamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=O)c1ccc(c(c1)C)C

STK851098
Synonyms: 1- benzyl- N,N,9- trimethyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C

STK851099
Synonyms: 7- methyl- 4- oxo- N- (4- sulfamoylphenyl)- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)oc(cc2=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N

STK851100
Synonyms: 3- (2- methoxyethyl)- 1,6,7- trimethyl- 8- (2- phenylethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)CCc1ccccc1

STK589323
Synonyms: 2- [4- (2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK851102
Synonyms: 7- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 3,5- diphenylpyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn(c(c1)C)c1cc(nc2n1ncc2c1ccccc1)c1ccccc1

STK851103
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- (furan- 2- ylmethyl)- 6,8- dimethyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1ccco1

STK589331
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)/N=c\1/sc2c([nH]1)cccc2

STK589332
Synonyms: 9,10- dimethoxy- 2- [2- (morpholin- 4- yl)ethoxy]- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc2c(cc1OC)CCn1c2cc(OCCN2CCOCC2)nc1=O

STK589333
Synonyms: ethyl({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)acetate
Smiles: CCOC(=O)CSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK851107
Synonyms: 3- (4- chlorophenyl)- 5- methyl- N- [2- (morpholin- 4- yl)ethyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccc(cc1)Cl

STK589334
Synonyms: methylN- [(3- acetylphenyl)carbamoyl]- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cccc(c1)C(=O)C)CC(C)C

STK589335
Synonyms: 8- [(2- chlorobenzyl)amino]- 6- hydroxy- 3- methyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=C)Cn1c(NCc2ccccc2Cl)nc2c1c(O)nc(=O)n2C

STK851109
Synonyms: N- (4- {[3- (2,3- dihydro- 1,4- benzodioxin- 2- yl)propanoyl]amino}- 2- methylphenyl)benzamide
Smiles: O=C(Nc1ccc(c(c1)C)NC(=O)c1ccccc1)CCC1COc2c(O1)cccc2

STK589339
Synonyms: 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]- N- [(2R)- 1- hydroxy- 3- phenylpropan- 2- yl]acetamide
Smiles: OCC(NC(=O)CN1C(=O)S/C(=C\c2ccccc2)/C1=O)Cc1ccccc1

STK589340
Synonyms: 5- (2- chlorobenzyl)- 4,5,6,7- tetrahydrothieno[3,2- c]pyridine
Smiles: Clc1ccccc1CN1CCc2c(C1)ccs2

STK851111
Synonyms: N- (5- chloropyridin- 2- yl)quinoxaline- 6- carboxamide
Smiles: Clc1ccc(nc1)NC(=O)c1ccc2c(c1)nccn2

STK589344
Synonyms: 7- (4- fluorophenyl)- 3- (2- phenylethyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Fc1ccc(cc1)n1ncc2c1ncn1c2nnc1CCc1ccccc1

STK589350
Synonyms: methyl2- [(3aR,6aS)- 3- (2,4- dichlorophenyl)- 4,6- dioxo- 3a,4,6,6a- tetrahydro- 5H- pyrrolo[3,4- d][1,2]oxazol- 5- yl]benzoate
Smiles: COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl

STK589355
Synonyms: (5s,7s)- 2- [4- (benzyloxy)phenyl]- 5- ethyl- 7- methyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C3c1ccc(cc1)OCc1ccccc1)C

STK589356
Synonyms: N- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK589357
Synonyms: 4- chloro- N- (7- methoxy- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)benzamide
Smiles: COc1ccc2c(c1)nc1c(c2)CCN1NC(=O)c1ccc(cc1)Cl

STK851115
Synonyms: 3- phenyl- 5- propyl- N- (pyridin- 3- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCc2cccnc2)n2c(n1)c(cn2)c1ccccc1

STK851116
Synonyms: 6,8- dimethyl- N- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C

STK589362
Synonyms: 2- oxo- 7- phenyl- 4- [(4- phenylpiperazin- 1- ium- 1- yl)methyl]- 2H- chromen- 6- olate
Smiles: O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCN(CC1)c1ccccc1)[O-]

STK589365
Synonyms: N- [(4- benzylpiperidin- 1- yl)carbonyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)N1CCC(CC1)Cc1ccccc1)C

STK851120
Synonyms: methyl(2Z)- 3- (morpholin- 4- yl)- 2- (2- nitrophenyl)prop- 2- enoate
Smiles: COC(=O)/C(=C\N1CCOCC1)/c1ccccc1[N+](=O)[O-]

STK589373
Synonyms: 1- ethyl- N- (4- fluorophenyl)- 5- methoxy- 2- methyl- 1H- indole- 3- carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)Nc1ccc(cc1)F)c(n2CC)C

STK589376
Synonyms: N- [(2Z)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 3,3- dimethylbutanamide
Smiles: O=C(CC(C)(C)C)/N=C/1\SC2C(N1c1ccc3c(c1)OCCO3)CS(=O)(=O)C2

STK589381
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 5- methyl- 4- (4- methylbenzyl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)Cc1c(C)[nH]n(c1=O)c1nc(C)cc(n1)C

STK589382
Synonyms: 2- [8- imino- 7- (4- methoxyphenyl)- 7H- benzo[7,8]chromeno[2,3- d]pyrimidin- 9(8H)- yl]- N,N- dimethylethanamine
Smiles: COc1ccc(cc1)C1c2c(ncn(c2=N)CCN(C)C)Oc2c1ccc1c2cccc1

STK589386
Synonyms: 1- {N- [(5- methoxy- 1- methyl- 1H- indol- 2- yl)carbonyl]- L- methionyl}piperidine- 4- carboxylicacid
Smiles: CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)OC

STK589389
Synonyms: 2- [(4- methyl- 6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c1c2cccc1)NCc1ccccn1

STK589392
Synonyms: {2- [(3aR,4R,4aR,7aS,8R,8aR)- 5,7- dioxo- 4,4a,5,6,7,7a,8,8a- octahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 3- yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O

STK851123
Synonyms: N- {4- [ethyl(phenyl)sulfamoyl]phenyl}- 6- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)ccc(c2)C)c1ccccc1

STK589400
Synonyms: 4- ethyl- 6- [(1E)- N- hydroxy- 2- (1- methyl- 1H- benzimidazol- 2- yl)ethanimidoyl]benzene- 1,3- diol
Smiles: O/N=C(/c1cc(CC)c(cc1O)O)\Cc1nc2c(n1C)cccc2

STK589406
Synonyms: (5Z)- 5- (furan- 2- ylmethylidene)- 3- {3- [2- (2- hydroxyethyl)piperidin- 1- yl]- 3- oxopropyl}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: OCCC1CCCCN1C(=O)CCN1C(=S)S/C(=C\c2ccco2)/C1=O

STK589408
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- {4- [(2- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C

STK589409
Synonyms: (4Z)- 4- {2- [3- (1H- imidazol- 1- ylmethyl)- 4- methoxyphenyl]- 4H- chromen- 4- ylidene}- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1Cn1ccnc1)C1=C/C(=C\2/N=C(OC2=O)c2ccccc2)/c2c(O1)cccc2

STK589410
Synonyms: 2,6- dihydroxy- 3- (2- methoxyethyl)- 5- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)pyrimidin- 4(3H)- one
Smiles: COCCn1c(O)nc(c(c1=O)C1OC(=O)c2c1cccc2)O

STK589413
Synonyms: (3a'S,6a'R)- 5'- (butan- 2- yl)- 3'- (3,4- dihydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2)C

STK589416
Synonyms: (4E)- 1- (2- hydroxyethyl)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(c(c1)OC)O

STK589423
Synonyms: (4E)- 2- (2,4- dichlorophenyl)- 4- (4- methoxybenzylidene)- 4H- imidazol- 5- ol
Smiles: COc1ccc(cc1)/C=C\1/N=C(N=C1O)c1ccc(cc1Cl)Cl

STK589425
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- hydroxyphenyl)- 5- propyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK589428
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- methyl- 5- (naphthalen- 1- ylmethyl)pyrimidin- 4- ol
Smiles: Cc1nc(nc(c1Cc1cccc2c1cccc2)O)N1CCN(CC1)Cc1ccccc1

STK589431
Synonyms: N- {[3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]acetyl}- L- methionyl- beta- alanine
Smiles: CSCC[C@@H](C(=O)NCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F

STK589435
Synonyms: N- tert- butyl- 2- {[3- cyano- 5- hydroxy- 4- (4- methoxyphenyl)- 7,7- dimethyl- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NC(C)(C)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)OC

STK589436
Synonyms: N- (5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)butanamide
Smiles: CCCC(=O)Nc1cc(O)nc2n1ncn2

STK589437
Synonyms: (5Z)- 5- [1- acetyl- 5- (4- ethoxyphenyl)pyrazolidin- 3- ylidene]- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)C1C/C(=C/2\C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/NN1C(=O)C

STK589441
Synonyms: 3- (3- fluorophenyl)- 2,6- dihydroxy- 5- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)pyrimidin- 4(3H)- one
Smiles: Fc1cccc(c1)n1c(O)nc(c(c1=O)C1OC(=O)c2c1cccc2)O

STK589443
Synonyms: 4- (benzylsulfanyl)- 7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)nc(nc2SCc1ccccc1)c1ccccc1

STK589446
Synonyms: 6- chloro- 2- oxo- 4- [(4- phenylpiperazin- 1- ium- 1- yl)methyl]- 2H- chromen- 7- olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)c2ccccc2)c2c(o1)cc(c(c2)Cl)[O-]

STK851127
Synonyms: 4- [4- phenyl- 3- (trifluoromethyl)- 1,2- oxazol- 5- yl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)c1onc(c1c1ccccc1)C(F)(F)F

STK589448
Synonyms: N- (2,3- dimethylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nnc1c1ccccn1

STK589452
Synonyms: 5,6- dimethyl- 7- (4- methylpiperazin- 1- yl)- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CN1CCN(CC1)c1c(C)c(C)nc2n1ncc2c1ccccc1

STK589456
Synonyms: 3- (3- hydroxypropyl)- 1- methyl- 9- (3- methylphenyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1)C

STK589457
Synonyms: 8,10- dimethyl- 2- propylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine- 4- thiol
Smiles: CCCc1cc(S)n2c(n1)c1c(C)cc(nc1n2)C

STK589459
Synonyms: N- cyclohexyl- 4,5,6- trimethoxy- N- methyl- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N(C1CCCCC1)C

STK589464
Synonyms: 3- (2,6- dichlorobenzyl)- N- (furan- 2- ylmethyl)- 3H- purin- 6- amine
Smiles: Clc1cccc(c1Cn1cnc(c2c1ncn2)NCc1ccco1)Cl

STK589465
Synonyms: 4- {[(1E,2E)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]amino}- 5- (4- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccco1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C

STK589469
Synonyms: ethyl4- [(5- {4- [(3,4- dichlorobenzyl)oxy]- 2- hydroxyphenyl}- 3- methyl- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK589471
Synonyms: 4- hydroxy- 8- (2- hydroxyphenyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Cc1cn2c(n1c1ccccc1O)nc1c2c(O)nc(=O)n1C

STK851131
Synonyms: 1- (4- ethoxyphenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK589475
Synonyms: N'- (5,6- diphenylfuro[2,3- d]pyrimidin- 4- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1c(c1ccccc1)c(o2)c1ccccc1)C

STK589476
Synonyms: 3- methyl- 12- (pyridin- 3- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cccnc2)c2c(n3)cccc2)C1)O

STK589477
Synonyms: 8- (2- chlorobenzyl)- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1ccccc1Cn1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C

STK851132
Synonyms: 7- (3,5- dimethylphenyl)- 2- (tetrahydrofuran- 2- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nc(n1)C1CCCO1

STK589479
Synonyms: 7- [4- (2,4- dimethylbenzyl)piperazin- 1- yl]- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(c(c1)C)CN1CCN(CC1)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK589481
Synonyms: (5Z)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- [3- methoxy- 4- (3- methylbutoxy)benzylidene]- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(c(c2)OC)OCCC(C)C)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK851134
Synonyms: 3- (2,4- dimethoxyphenyl)- 8- (2- methoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1OC

STK589487
Synonyms: N- ({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK589496
Synonyms: 12- (furan- 2- yl)- 2- (3- methylphenyl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: Cc1cccc(c1)c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O

STK851135
Synonyms: 8- (4- hydroxy- 3- methoxyphenyl)- 3- (4- methylphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccc(c(c1)OC)O)c1ccc(cc1)C

STK589501
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (2- fluorophenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: O=C1c2n[nH]c(c2C(N1Cc1cccnc1)c1ccccc1F)c1cc(Cl)c(cc1O)C

STK589504
Synonyms: 4- hydroxy- 8- (2- methoxyphenyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccccc1n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK589509
Synonyms: 5- (benzyloxy)- 2- [4- (4- methoxyphenyl)- 3- (trifluoromethyl)- 1,2- oxazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1

STK589510
Synonyms: 4- amino- N- (4- methoxybenzyl)- 3- (4- methoxyphenyl)- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1sc(=S)n(c1N)c1ccc(cc1)OC

STK851138
Synonyms: 2- {4- [2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK589513
Synonyms: 3- (2- methoxyethyl)- 5- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COCCn1cnc2c(c1=O)n(C)c1c2cccc1

STK589515
Synonyms: 2- [4- (4- chlorophenyl)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1C

STK589517
Synonyms: 8- (2,4- dimethoxyphenyl)- 1,3,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cc(OC)ccc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C

STK589519
Synonyms: N- (2,5- dimethylphenyl)- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)C

STK589520
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (4- sulfamoylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N)O

STK589522
Synonyms: (5Z)- 3- (2- chlorobenzyl)- 2- hydroxy- 5- ({1- [2- (morpholin- 4- yl)- 2- oxoethyl]- 1H- indol- 3- yl}methylidene)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: OC1=N/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C(=O)N1Cc1ccccc1Cl

STK851141
Synonyms: ethyl(2E)- 2- {[(2E)- 3- (4- ethoxyphenyl)prop- 2- enoyl]imino}- 4- methyl- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOc1ccc(cc1)/C=C/C(=O)/N=c\1/sc(c([nH]1)C)C(=O)OCC

STK851144
Synonyms: 7- chloro- 2- (3- hydroxypropyl)- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)Cl

STK589528
Synonyms: N- [(2Z)- 3- benzyl- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- chlorophenyl)acetamide
Smiles: O=C(/N=C/1\SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)Cc1ccc(cc1)Cl

STK851146
Synonyms: 3- (2- hydroxyphenyl)- 4- (3- methoxyphenyl)- 5- [3- (propan- 2- yloxy)propyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cccc(c1)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1ccccc1O

STK851148
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 7- (3,5- dimethyl- 1H- pyrazol- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2n1nc(cc1C)C)C(C)(C)C

STK589538
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK589539
Synonyms: (3R)- N- (4- chlorobenzyl)- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK851151
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- N- (pyridin- 4- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2Nc1ccncc1

STK589542
Synonyms: (1S,2S)- N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cc(Br)ccc1O

STK589543
Synonyms: 6- (furan- 2- yl)- 9- (4- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccco1

STK589545
Synonyms: 3- (4- acetylpiperazin- 1- yl)- 1- (propan- 2- yl)- 6,7- dihydro- 5H- cyclopenta[c]pyridine- 4- carbonitrile
Smiles: N#Cc1c(nc(c2c1CCC2)C(C)C)N1CCN(CC1)C(=O)C

STK589547
Synonyms: 2- (5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)C

STK589550
Synonyms: N'- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- (4- methylphenyl)propyl]- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNCCC(c1ccc(cc1)C)C1CCOC(C1)(C)C)C

STK589552
Synonyms: methylN- [(thiophen- 2- ylmethyl)carbamoyl]- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)NCc1cccs1

STK589555
Synonyms: N- {3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]propanoyl}glycine
Smiles: O=C(CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NCC(=O)O

STK851155
Synonyms: (5Z)- 5- (3- bromobenzylidene)- 3- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Brc1cccc(c1)/C=C/1\SC(=S)N(C1=O)CC(=O)N1CCCCC1

STK589560
Synonyms: ethyl3- methyl- 4- oxo- 4,7- dihydro- 5H- thiopyrano[3,4- b]furan- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)C(=O)CSC2

STK589562
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)methanesulfonamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)C)CC1CCCO1

STK589565
Synonyms: 5- (furan- 2- yl)- 4- imino- 3- (2- methylpropyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)CC(C)C

STK589567
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)- 6- methylpyrimidin- 4- yl]- 5- [(2,6- dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1c(C)nc(nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl)N

STK589570
Synonyms: 6- chloro- 4- {[4- (2- methoxyphenyl)piperazin- 1- yl]methyl}- 2H- chromen- 2- one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)cc2

STK589572
Synonyms: ethyl4- {[(4- fluorophenyl)sulfonyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1ccc(cc1)F)c(OC)cc2)C

STK851156
Synonyms: N- {3- [(3- methoxypropyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COCCCNC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc(=O)c2c(o1)cccc2

STK589574
Synonyms: ethyl[1- (4- fluorobenzyl)- 5- oxo- 2- phenyl- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]carbamate
Smiles: CCOC(=O)NC1(N=C(N(C1=O)Cc1ccc(cc1)F)c1ccccc1)C(F)(F)F

STK589579
Synonyms: methyl4,5- dimethoxy- 2- ({(3Z)- 3- [(methylsulfonyl)imino]- 3,4- dihydroquinoxalin- 2- yl}amino)benzoate
Smiles: COC(=O)c1cc(OC)c(cc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)C)OC

STK589580
Synonyms: 6- hydroxy- 8- (3- hydroxyphenyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1cccc(c1)c1[nH]c2c(n1)n(C)c(=O)nc2O

STK589583
Synonyms: (4E)- 5- (2,4- dimethoxyphenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1OC)OC

STK851157
Synonyms: 4- (4- chlorophenyl)- 2- [(4- methoxyphenyl)amino]- 8- methyl- 4H- pyrimido[1,2- a][1,3,5]triazin- 6- ol
Smiles: COc1ccc(cc1)NC1=NC(n2c(=N1)nc(C)cc2O)c1ccc(cc1)Cl

STK851158
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)- 6- methylpyrimidin- 4- yl]- 5- ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(cc1)Cl)C

STK589585
Synonyms: N- butyl- 7- [3- (dimethylamino)propyl]- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: CCCCNc1ncnc2c1c(C)c(n2CCCN(C)C)C

STK589588
Synonyms: 2- [3- (1H- pyrazol- 5- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]propanoicacid
Smiles: CC(n1c(n[nH]c1=S)c1ccn[nH]1)C(=O)O

STK851159
Synonyms: 4- oxo- N- [2- (4- sulfamoylphenyl)ethyl]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)NCCc1ccc(cc1)S(=O)(=O)N

STK589593
Synonyms: ethyl1- [3- (1H- benzimidazol- 2- yl)propanoyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)CCc1nc2c([nH]1)cccc2

STK851160
Synonyms: [4- (2,5- dimethylphenyl)piperazin- 1- yl][3- (5- methyl- 2H- tetrazol- 2- yl)tricyclo[3.3.1.1~3,7~]dec- 1- yl]methanone
Smiles: Cc1ccc(c(c1)N1CCN(CC1)C(=O)C12CC3CC(C1)CC(C2)(C3)n1nnc(n1)C)C

STK589601
Synonyms: 1- (1- {6- [(4- methoxyphenyl)amino]- 2- methylpyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: COc1ccc(cc1)Nc1nc(C)nc(c1)n1ncc(c1C)C(=O)C

STK589602
Synonyms: 3- (1H- benzimidazol- 2- yl)- 1- [4- (3- chlorophenyl)piperazin- 1- yl]propan- 1- one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCc1nc2c([nH]1)cccc2

STK589605
Synonyms: N- (2- benzyl- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)cyclohexanecarboxamide
Smiles: Oc1cc(NC(=O)C2CCCCC2)n2c(n1)nc(n2)Cc1ccccc1

STK589608
Synonyms: 7,8- dimethyl- 4- [(4- methylpiperidin- 1- yl)methyl]- 2H- chromen- 2- one
Smiles: CC1CCN(CC1)Cc1cc(=O)oc2c1ccc(c2C)C

STK589610
Synonyms: (2E)- 2- cyano- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3- [5- (piperidin- 1- yl)furan- 2- yl]prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(o1)N1CCCCC1)/C(=O)NC1CCS(=O)(=O)C1

STK851163
Synonyms: 4- (5- chloro- 2- methoxyphenyl)- 5- (quinolin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1n1c(=S)[nH]nc1c1ccc2c(n1)cccc2)Cl

STK589611
Synonyms: 5- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4- (3- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1cc(C)cc(c1O)C

STK589614
Synonyms: 6- hydroxy- 3- methyl- 8- [4- (2- methylbenzyl)piperazin- 1- yl]- 7- (2- methylpropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1C)C

STK851165
Synonyms: 2- {4- [5- methyl- 3- phenyl- 6- (prop- 2- en- 1- yl)pyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1c(CC=C)c(C)nc2n1ncc2c1ccccc1

STK589617
Synonyms: (2Z)- 6- [(2- chloro- 6- fluorobenzyl)oxy]- 2- (pyridin- 4- ylmethylidene)- 1- benzofuran- 3(2H)- one
Smiles: O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2)OCc1c(F)cccc1Cl

STK589618
Synonyms: 5- benzyl- 2- (4- benzylpiperazin- 1- yl)pyrimidine- 4,6- diol
Smiles: Oc1nc(nc(c1Cc1ccccc1)O)N1CCN(CC1)Cc1ccccc1

STK589625
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]propanamide
Smiles: CCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK589626
Synonyms: N- [3- (1,3- benzodioxol- 5- ylmethyl)- 2',6'- dihydroxy- 4'- oxo- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl]acetamide
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)NC(=O)C

STK589627
Synonyms: (1Z)- 1- [(2,3- dihydro- 1,4- benzodioxin- 6- ylsulfonyl)methylidene]- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN/C(=C\S(=O)(=O)c3ccc4c(c3)OCCO4)/c2cc1OC

STK851168
Synonyms: 3- (3- hydroxypropyl)- 1- methyl- 8- phenyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1

STK589635
Synonyms: 4- hydroxy- 1- phenyl- 6- sulfanyl- 2- (thiophen- 2- yl)- 1,2- dihydropyrimidine- 5- carbonitrile
Smiles: N#CC1=C(S)N(C(N=C1O)c1cccs1)c1ccccc1

STK589637
Synonyms: 6- [2- (4- benzylpiperidin- 1- yl)- 2- oxoethyl]- 9- methoxy- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)N1CCC(CC1)Cc1ccccc1

STK589639
Synonyms: 3- [6- (4- benzylpiperidin- 1- yl)- 6- oxohexyl]quinazolin- 4(3H)- one
Smiles: O=C(N1CCC(CC1)Cc1ccccc1)CCCCCn1cnc2c(c1=O)cccc2

STK589640
Synonyms: 3- (4- ethylphenyl)- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK851170
Synonyms: 4- (3- chlorophenyl)- 3- (2- hydroxyphenyl)- 5- (3- methoxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1ccccc1O

STK851171
Synonyms: 2,8,10- trimethyl- N- (1- phenylethyl)pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Cc1cc(NC(c2ccccc2)C)n2c(n1)c1c(C)cc(nc1n2)C

STK589646
Synonyms: (3S)- N- [(2S)- 1- (cyclohexylamino)- 1- oxopropan- 2- yl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C)NC1CCCCC1

STK851173
Synonyms: 3- (2- hydroxyphenyl)- 5- (3- methoxypropyl)- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1ccccc1O

STK589658
Synonyms: (5E)- 4- hydroxy- 5- {[1- (prop- 2- en- 1- yl)- 1H- indol- 3- yl]methylidene}- 1,5- dihydro- 2H- imidazol- 2- one
Smiles: C=CCn1cc(c2c1cccc2)/C=C\1/NC(=O)N=C1O

STK851176
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 3- [4- (diethylamino)phenyl]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN(c1ccc(cc1)N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O)CC

STK851177
Synonyms: 1- benzyl- 7- methyl- 4- oxo- N- [3- (propan- 2- yloxy)propyl]- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CC(OCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)C

STK851178
Synonyms: (4Z)- 4- {[(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]methylidene}- 2- phenylisoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1/C(=C\Nc2c(=O)n(n(c2C)C)c2ccccc2)/c2ccccc2C(=O)N1c1ccccc1

STK589663
Synonyms: 2- methyl- 7- (4- methylpiperazin- 1- yl)- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)C)n2c(n1)c(c1ccccc1)c(n2)C

STK851180
Synonyms: 7- (furan- 2- yl)- 2- hydroxy- 5- oxo- N- phenyl- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccccc1)C(=O)CC(C2)c1ccco1

STK851181
Synonyms: 5- tert- butyl- 3- (2- chlorophenyl)- N- [3- (1H- imidazol- 1- yl)propyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccccc1c1cnn2c1nc(cc2NCCCn1cncc1)C(C)(C)C

STK589668
Synonyms: 3- (4- bromophenyl)- 7- [(2- chloro- 4- fluorobenzyl)oxy]- 4H- chromen- 4- one
Smiles: Brc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK851184
Synonyms: 6,7- dimethoxy- 3- propyl- 2- sulfanylquinazolin- 4(3H)- one
Smiles: CCCn1c(S)nc2c(c1=O)cc(c(c2)OC)OC

STK851185
Synonyms: 2- {4- [5- tert- butyl- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK851186
Synonyms: 3- (3,4- dimethoxyphenyl)- 7- [(2,5- dimethylbenzyl)oxy]- 4H- chromen- 4- one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OCc1cc(C)ccc1C

STK589675
Synonyms: 6- amino- 1- (4- methoxybenzyl)- 2- sulfanylpyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)Cn1c(N)cc(=O)nc1S

STK589680
Synonyms: 4- [4- (3- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2- propylpyridine
Smiles: CCCc1nccc(c1)c1scc(n1)c1cccc(c1)OC

STK589682
Synonyms: 2- (4- oxo- 6,7- dihydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 3(5H)- yl)butanoicacid
Smiles: CCC(n1cnc2c(c1=O)c1CCCc1s2)C(=O)O

STK589684
Synonyms: 2- ethyl- 5- methyl- 7- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CCc1nn2c(c1c1ccccc1)nc(cc2N1CCN(CC1)CC(=C)C)C

STK851188
Synonyms: 8- (diethylamino)- 7- (2- hydroxy- 3- phenoxypropyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN(c1nc2c(n1CC(COc1ccccc1)O)c(=O)n(c(=O)n2C)C)CC

STK589687
Synonyms: N- {[2- (4- chlorophenyl)ethyl]carbamoyl}- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)Cl)C

STK589691
Synonyms: 9- (3,4- dimethoxyphenyl)- 6- (furan- 2- yl)- 2- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1

STK851189
Synonyms: 4- (4- bromophenyl)- 4H- 1,2,4- triazole
Smiles: Brc1ccc(cc1)n1cnnc1

STK589694
Synonyms: 4- (5- bromo- 1- benzofuran- 2- yl)- 7,8- dihydrocyclopenta[g]chromen- 2(6H)- one
Smiles: Brc1ccc2c(c1)cc(o2)c1cc(=O)oc2c1cc1CCCc1c2

STK589696
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- N- (2- methylpropyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(CNc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C)C

STK851190
Synonyms: 3- (2- methylphenyl)- 6- oxo- 8- (3,4,5- trimethoxyphenyl)- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1cc(OC)c(c(c1)OC)OC)c1ccccc1C

STK589701
Synonyms: (3E)- 3- [2- oxo- 2- (pyridin- 3- yl)ethylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C(c1cccnc1)/C=C\1/C(=O)Nc2c1cccc2

STK589702
Synonyms: 8- [2- (3,4- dimethoxyphenyl)ethyl]- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1cc(ccc1OC)CCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK589707
Synonyms: 3- [(5Z)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [2- (4- hydroxyphenyl)ethyl]propanamide
Smiles: O=C(CCN1C(=S)S/C(=C\c2ccc(cc2)F)/C1=O)NCCc1ccc(cc1)O

STK589711
Synonyms: 7- cyclohexyl- N~5~- [2- (3,4- dimethoxyphenyl)ethyl]- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: COc1cc(CCNc2nc3[nH]nc(c3c3c2CN(CC3)C2CCCCC2)N)ccc1OC

STK589719
Synonyms: (5Z)- 3- cyclohexyl- 5- [1- (cyclopropylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/NC1CC1

STK589723
Synonyms: tert- butyl(3S)- 3- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)Nc1ccc2c(c1)OCCO2

STK589724
Synonyms: N- [(3- methylphenyl)carbamoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)Nc1cccc(c1)C

STK851191
Synonyms: 3- (4- chlorophenyl)- N- (4- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccc(cc1)Nc1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK589726
Synonyms: 3- (4- chlorophenyl)- 5- methyl- 7- [4- (pyridin- 2- yl)piperazin- 1- yl]pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCN(CC1)c1ccccn1

STK589727
Synonyms: propan- 2- yl{[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl)C

STK851193
Synonyms: 2- [(3- chlorophenoxy)methyl]- 5- [(pyridin- 3- ylmethyl)amino]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1cccnc1)COc1cccc(c1)Cl

STK851194
Synonyms: 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccccc1C

STK851195
Synonyms: 3- (2- methoxyphenyl)- 5- methyl- N- (pyridin- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCc1ccccn1

STK589732
Synonyms: 8- bromo- 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cn1c2nc(n(c2c(nc1=O)O)CCOC)Br

STK589735
Synonyms: 5- (1- {[4- (diethylamino)phenyl]amino}ethylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCN(c1ccc(cc1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C)CC

STK589736
Synonyms: 11- (furan- 2- yl)- 10- methyl- 2- (3- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1cccc(c1)c1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)n(nc2C)c1ccccc1

STK589737
Synonyms: 2- (benzylsulfanyl)- 9- (4- hydroxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Oc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK851197
Synonyms: 1- benzyl- N- (4- chlorophenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK589745
Synonyms: 4- (5- {(E)- [2- (5- phenylthieno[2,3- d]pyrimidin- 4- yl)hydrazinylidene]methyl}furan- 2- yl)benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)c1ccc(o1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK851202
Synonyms: 5- [4- (benzyloxy)phenyl]- 7- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 2- amine
Smiles: Nc1nc2n(n1)c(cc(n2)c1ccc(cc1)OCc1ccccc1)C(F)(F)F

STK589748
Synonyms: (5Z)- 5- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 6- hydroxy- 3- (thiophen- 2- ylmethyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C/c2cc(n(c2C)c2ccccc2)C)/C(=O)N1Cc1cccs1

STK589754
Synonyms: N- [(Z)- (4,6- dioxo- 1- phenyl- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]tyrosine
Smiles: Oc1ccc(cc1)CC(C(=O)O)N/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1

STK589757
Synonyms: 1- ethyl- 4,6- dihydroxypyrimidin- 2(1H)- one
Smiles: CCn1c(O)cc(nc1=O)O

STK589759
Synonyms: methyl4- [2- (4- methoxybenzyl)- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl]benzoate
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)cccc1

STK589763
Synonyms: N- {4- [(2- ethylpiperidin- 1- yl)sulfonyl]phenyl}- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK589766
Synonyms: N- (2- benzyl- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 3- chlorobenzamide
Smiles: Clc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)Cc1ccccc1

STK589767
Synonyms: 6- hydroxy- 8- [4- (2- hydroxyethyl)piperazin- 1- yl]- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCc1ccc(cc1)OC)c(O)nc(=O)n2C

STK589769
Synonyms: 2- (3- bromo- 5- ethoxy- 4- hydroxyphenyl)- 4- imino- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: CCOc1cc(cc(c1O)Br)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK589772
Synonyms: 3- [2- (diethylamino)ethyl]- 4- imino- 5- (4- methoxyphenyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: CCN(CCn1cnc2c(c1=N)C(c1ccc(cc1)OC)c1c(O2)cc(cc1)O)CC

STK851204
Synonyms: 3- (2- ethoxyphenoxy)- 4- oxo- 4H- chromen- 7- yl4- nitrobenzoate
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK851205
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (2,3- dimethylphenoxy)propanamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)C(Oc1cccc(c1C)C)C

STK589788
Synonyms: 5- [(2,5- dimethylbenzyl)oxy]- 2- [5- (4- methoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1cc(C)ccc1C

STK589791
Synonyms: 6- tert- butyl- 1,3- dimethyl- 5- (4- methyl- 3- nitrophenyl)- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: [O-][N+](=O)c1cc(ccc1C)c1c2c(=O)n(C)c(=O)n(c2cn1C(C)(C)C)C

STK851206
Synonyms: N- [(2E)- 4- hydroxy- 1,3- thiazol- 2(5H)- ylidene]- 2- [(4- methylphenyl)sulfanyl]acetamide
Smiles: O=C(/N=C\1/SCC(=N1)O)CSc1ccc(cc1)C

STK851207
Synonyms: 3- (2,4- dimethoxyphenyl)- 8- (3,4- dimethoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(c(c1)OC)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(c(c1)OC)OC

STK589796
Synonyms: 3- (4- chlorophenyl)- 4- phenyl- N- (tetrahydrofuran- 2- ylmethyl)butan- 1- amine
Smiles: Clc1ccc(cc1)C(Cc1ccccc1)CCNCC1CCCO1

STK589797
Synonyms: 7- (4- benzylpiperidin- 1- yl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CC(c1cc(N2CCC(CC2)Cc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK589799
Synonyms: 7'- {[(2,2- dimethyl- 4,6- dioxo- 1,3- dioxan- 5- ylidene)methyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1OC(C)(C)OC(=O)C1=CNc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK589800
Synonyms: (3S)- N- {(1R)- 2- [(furan- 2- ylmethyl)amino]- 2- oxo- 1- phenylethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)N[C@H](c1ccccc1)C(=O)NCc1ccco1

STK851208
Synonyms: 1- benzyl- N- (4- ethylphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK851209
Synonyms: N- [(2Z)- 5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3,3,3- trifluoro- 2- (trifluoromethyl)propanamide
Smiles: CCSc1n[nH]/c(=N/C(=O)C(C(F)(F)F)C(F)(F)F)/s1

STK851210
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N

STK589803
Synonyms: 3- (1- methyl- 1H- benzimidazol- 2- yl)- 1- (2- phenylethyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: Cn1c2ccccc2nc1c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1

STK851211
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [5- (4- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1ccccc1F

STK589807
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)C)C)C

STK589809
Synonyms: 3- (but- 3- en- 2- yl)- 8- (3,4- dimethylphenyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: C=CC(n1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(c(c1)C)C)C)C

STK589812
Synonyms: (E)- N- [(8,9- diphenylfuro[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]- 1- (2- methoxyphenyl)methanimine
Smiles: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)oc(c1c1ccccc1)c1ccccc1

STK589818
Synonyms: furan- 2- yl{4- [(6- methoxy- 1H- indol- 2- yl)carbonyl]piperazin- 1- yl}methanone
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)C(=O)c1ccco1

STK589821
Synonyms: 7- benzyl- 6- hydroxy- 3- methyl- 8- (morpholin- 4- ylmethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1nc(=O)n(c2c1n(Cc1ccccc1)c(n2)CN1CCOCC1)C

STK851213
Synonyms: 7- (2- chlorophenyl)- 2- (pyridin- 3- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nc(n1)c1cccnc1

STK589822
Synonyms: 4- chloro- N'- {4- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1)Cl)CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK589825
Synonyms: N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK589827
Synonyms: ethyl4- {[(4- methoxy- 1H- indol- 2- yl)carbonyl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c([nH]1)cccc2OC

STK589828
Synonyms: 6- ethyl- 4- {[4- (4- fluorophenyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)c1ccc(cc1)F

STK589829
Synonyms: 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK589832
Synonyms: 7- chloro- 1- (3- hydroxyphenyl)- 2- (3- hydroxypropyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK589833
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (3- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK589834
Synonyms: 3- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]propane- 1,2- diol
Smiles: OCC(CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1)O

STK589840
Synonyms: 2- butoxy- N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]benzamide
Smiles: CCCCOc1ccccc1C(=O)Nc1nonc1c1ccc(c(c1)OC)OC

STK589844
Synonyms: 4- [(3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)amino]- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: O=C1OC(c2c1cccc2)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK851216
Synonyms: N- (1,3- benzodioxol- 5- yl)- 1- benzyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: O=c1c2cc(n(c2nc2n1cccc2)Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2

STK589845
Synonyms: 8- (4- chlorophenyl)- 11- (furan- 2- yl)- 10- methyl- 2- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)n1nc(c2c1Oc1ncn3c(c1C2c1ccco1)nc(n3)c1cccnc1)C

STK589846
Synonyms: 2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl(4- ethylpiperazin- 1- yl)methanone
Smiles: CCN1CCN(CC1)C(=O)c1c2CCCc2nc2c1cccc2

STK589848
Synonyms: 9- (4- benzylpiperazin- 1- yl)- 2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)Cc2ccccc2)CCCC1

STK589850
Synonyms: 4- (9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)aniline
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccc(cc1)N

STK851217
Synonyms: 3- (2- hydroxyphenyl)- 4- (4- methoxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1ccccc1O

STK589853
Synonyms: N- [3- (ethylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccccc2O)sc2c1CCCC2

STK589854
Synonyms: (2E)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- (4- ethylbenzyl)- 3- (4- methylphenyl)prop- 2- enamide
Smiles: CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(cc1)C

STK589855
Synonyms: 3- butyl- 5- [(2E)- 3- (2,6- dichlorophenyl)prop- 2- enoyl]- 2,6- dihydroxypyrimidin- 4(3H)- one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1c(Cl)cccc1Cl)O

STK851220
Synonyms: 5- tert- butyl- N- (2- methylpropyl)- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(CNc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C)C

STK589856
Synonyms: 2- {(2E)- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinylidene}- 2,3- dihydro- 1H- benzimidazole
Smiles: CC1Oc2ccccc2C=C1/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK589857
Synonyms: 2,4- dimethyl- 1,3- oxazole- 5- carboxylicacid
Smiles: Cc1nc(c(o1)C(=O)O)C

STK589858
Synonyms: 7- methyl- 3- [(propylamino)methyl]quinolin- 2(1H)- one
Smiles: CCCNCc1cc2ccc(cc2[nH]c1=O)C

STK589859
Synonyms: 6- (furan- 2- yl)- 9- (4- methoxyphenyl)- 2- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1

STK851221
Synonyms: N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK589862
Synonyms: 4- ({(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)benzoicacid
Smiles: O=C1N=C(O)/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C(=O)N1c1ccccc1C

STK589864
Synonyms: 2- [(2,3- dimethylphenoxy)methyl]- 9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)COc1cccc(c1C)C

STK589868
Synonyms: 3- [1- (2- chloro- 6- fluorophenyl)- 2- nitroethyl]- 1H- indole
Smiles: [O-][N+](=O)CC(c1c[nH]c2c1cccc2)c1c(F)cccc1Cl

STK589870
Synonyms: 7- (3,4- dimethylphenyl)- 3- (3- nitrophenyl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: O=C1CC2(C(=O)N1c1ccc(c(c1)C)C)ON=C(C2)c1cccc(c1)[N+](=O)[O-]

STK589877
Synonyms: 4- (4- chlorophenyl)- 6- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1ccc(cc1)Cl)c(C)nn2c1ccccc1

STK589880
Synonyms: N- {[2- methyl- 5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)phenyl]carbamoyl}- L- phenylalanine
Smiles: O=C(Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2)N[C@H](C(=O)O)Cc1ccccc1

STK589885
Synonyms: methylN- {[3- (1,3- benzoxazol- 2- yl)phenyl]carbamoyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1)c1nc2c(o1)cccc2

STK589887
Synonyms: 6- chloro- N- {3- [(3- ethoxypropyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)sc2c1CCC2

STK589891
Synonyms: ethyl4- methyl- 2- {[(2E)- 4,6,8- trimethylquinazolin- 2(1H)- ylidene]amino}pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1C)/N=c\1/nc(C)c2c([nH]1)c(C)cc(c2)C

STK589893
Synonyms: N- [(3,4- dichlorophenyl)carbamoyl]- D- valine
Smiles: O=C(N[C@@H](C(=O)O)C(C)C)Nc1ccc(c(c1)Cl)Cl

STK589894
Synonyms: 4- [4- methoxy- 2- (prop- 2- en- 1- yl)phenoxy][1,2,4]triazolo[4,3- a]quinoxaline
Smiles: C=CCc1cc(OC)ccc1Oc1nc2ccccc2n2c1nnc2

STK589896
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (3- methylphenoxy)acetamide
Smiles: Cc1cccc(c1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK589903
Synonyms: 2,2,5- trimethyl- N- (pyridin- 3- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1cccnc1

STK851227
Synonyms: furan- 2- yl[4- (5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)piperazin- 1- yl]methanone
Smiles: Cc1nc2ncnn2c(c1)N1CCN(CC1)C(=O)c1ccco1

STK589905
Synonyms: 4,4- dimethyl- 7'- nitro- 1',2',3',3a'- tetrahydro- 2H,5'H,6H- spiro[cyclohexane- 1,4'- pyrrolo[1,2- a]quinoline]- 2,6- dione
Smiles: O=C1CC(C)(C)CC(=O)C21Cc1cc(ccc1N1C2CCC1)[N+](=O)[O-]

STK589910
Synonyms:
Smiles: CCC([C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)O)C

STK851230
Synonyms: ethylN- [(1- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 2- yl)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1

STK851231
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1

STK851232
Synonyms: 5- propyl- 2- (pyridin- 3- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)c1cccnc1

STK589925
Synonyms: ethyl4- {[(2,4- dimethylphenyl)sulfonyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2c(NS(=O)(=O)c3ccc(cc3C)C)c(OC)ccc2n(c1C)C

STK851236
Synonyms: 8- (1H- imidazol- 1- yl)- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2n2cncc2)CCC1

STK589928
Synonyms: N- [2- (1H- indol- 3- yl)ethyl]- 2- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2cccs2)/C1=O)NCCc1c[nH]c2c1cccc2

STK589931
Synonyms: 7- chloro- 1- (4- hydroxy- 3- methoxyphenyl)- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK851237
Synonyms: 5,6- dimethyl- 3- phenyl- 7- (4- phenylpiperazin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nc2n(c(c1C)N1CCN(CC1)c1ccccc1)ncc2c1ccccc1

STK589938
Synonyms: ethyl2,4- diamino- 1,5- dicyano- 3- thia- 9- azaspiro[5.5]undeca- 1,4- diene- 9- carboxylate
Smiles: CCOC(=O)N1CCC2(CC1)C(=C(N)SC(=C2C#N)N)C#N

STK589940
Synonyms: 1- (4- hydroxy- 3- methoxyphenyl)- 2- (3- methoxypropyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)c(C)cc(c1)C

STK589943
Synonyms: 4,7- dimethoxy- N'- [(E)- (2- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)c1[nH]c2c(c1)c(OC)ccc2OC

STK851238
Synonyms: N- [(2Z)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]- 2,3- dihydro- 1,4- benzodioxine- 2- carboxamide
Smiles: O=C(C1COc2c(O1)cccc2)/N=c/1\scc([nH]1)c1ccccc1

STK589945
Synonyms: {[3- cyano- 6- methyl- 4- (thiophen- 2- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridin- 2- yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(SC(c2ccccc2)C(=O)O)nc2c(c1c1cccs1)CN(CC2)C

STK589949
Synonyms: 8- amino- 6- hydroxy- 3- methyl- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=C)Cn1c(N)nc2c1c(O)nc(=O)n2C

STK589953
Synonyms: 7- [(4- bromobenzyl)oxy]- 3- (4- chlorophenyl)- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: Clc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccc(cc1)Br

STK851240
Synonyms: 7- (3- methoxyphenyl)- 2- oxo- 1,3- benzoxathiol- 5- ylfuran- 2- carboxylate
Smiles: COc1cccc(c1)c1cc(OC(=O)c2ccco2)cc2c1oc(=O)s2

STK851241
Synonyms: 2- [(2,4- dimethylphenyl)amino]- 4- (2- methoxyphenyl)- 8- methyl- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: COc1ccccc1C1N=C(Nc2ccc(cc2C)C)N=c2n1c(=O)cc([nH]2)C

STK589954
Synonyms: 5- [(2,6- dichlorobenzyl)oxy]- 2- [5- (4- methoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl

STK589955
Synonyms: (5E)- 6- hydroxy- 3- (2- methoxyphenyl)- 5- [(morpholin- 4- ylamino)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccccc1N1C(=O)N=C(/C(=C\NN2CCOCC2)/C1=O)O

STK589958
Synonyms: N- [(2,2- diphenylethyl)carbamoyl]- L- alanine
Smiles: C[C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1

STK851242
Synonyms: N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)pyridine- 3- carboxamide
Smiles: O=C(N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1)c1cccnc1

STK589965
Synonyms: 2,6- dihydroxy- 5- [(2E)- 3- (1H- indol- 3- yl)prop- 2- enoyl]- 3- (2- phenylethyl)pyrimidin- 4(3H)- one
Smiles: O=C(c1c(O)nc(n(c1=O)CCc1ccccc1)O)/C=C/c1c[nH]c2c1cccc2

STK851244
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmorpholine- 4- carboxylate
Smiles: O=C(N1CCOCC1)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O

STK851245
Synonyms: 3- (2- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2O

STK851246
Synonyms: 1- (3- methoxypropyl)- 2- [(4- methylpiperidin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCC(CC1)C

STK589973
Synonyms: 2- methyl- 3- phenyl- N- (2- phenylethyl)- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCc2ccccc2)n2c(n1)c(c1ccccc1)c(n2)C)C

STK589976
Synonyms: N- [2- methyl- 5- (6- methyl[1,2,4]triazolo[3,4- a]phthalazin- 3- yl)phenyl]- 2- (piperidin- 1- yl)acetamide
Smiles: O=C(Nc1cc(ccc1C)c1nnc2n1nc(C)c1c2cccc1)CN1CCCCC1

STK589977
Synonyms: N- cyclopentyl- 2- (7,8- dimethoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC1CCCC1

STK589979
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK851247
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 3- [4- oxo- 4- (pyrrolidin- 1- yl)butyl]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccc2Cl)/C(=O)N1CCCC(=O)N1CCCC1

STK589986
Synonyms: N- (furan- 2- ylmethyl)- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: Cc1oc2c(c1C)c(ncn2)NCc1ccco1

STK589987
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CC1Sc2ccccc2N=C1O

STK589988
Synonyms: 3- [(4- cyclohexyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 4- phenylquinolin- 2- ol
Smiles: Oc1nc2ccccc2c(c1Sc1nnc(n1C1CCCCC1)c1ccccc1)c1ccccc1

STK851251
Synonyms: 2- methyl- 9- (morpholin- 4- yl)- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCOCC2)CCCC1

STK589991
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)pyrimidin- 4- yl]- 5- [(2,4- dichlorobenzyl)oxy]phenol
Smiles: Clc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl)N

STK589995
Synonyms: 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- (pyridin- 2- yl)propanamide
Smiles: O=C(Nc1ccccn1)CCn1nnc2c(c1=O)cccc2

STK589996
Synonyms: 5- [(3,4- dichlorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 3- methyl- 1,2- oxazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK851252
Synonyms: 2- ethyl- N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccccc1)CC

STK851253
Synonyms: propan- 2- yl5- [(dimethylcarbamoyl)oxy]- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: CC(OC(=O)c1c(C)oc2c1cc(cc2)OC(=O)N(C)C)C

STK851254
Synonyms: 4- (4- fluorophenyl)- 3- (2- hydroxyphenyl)- 5- (tetrahydrofuran- 2- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Fc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK589998
Synonyms: N- (3,4- dimethylphenyl)- 5- (2- hydroxy- 4,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1ccc(c(c1)C)C

STK851255
Synonyms: 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- (4- methoxybenzyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)Cc1n[nH]c(=S)n1c1ccc2c(c1)OCCO2

STK590000
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (5- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK590001
Synonyms: 4- ({[(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2)/C1=O)Nc1ccc(c(c1)O)C(=O)O

STK590006
Synonyms: (5E)- 2- (2- chlorophenyl)- 5- (4- methoxybenzylidene)- 3- (1,3- thiazol- 2- yl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1ccc(cc1)/C=C\1/N=C(N(C1=O)c1nccs1)c1ccccc1Cl

STK851258
Synonyms: 5- tert- butyl- 3- phenyl- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCC2CCCO2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK590007
Synonyms: 10,11- dimethylbenzo[g]thieno[2',3':4,5]pyrimido[2,1- a]isoindol- 9(7H)- one
Smiles: Cc1c(C)sc2c1c(=O)n1c(n2)c2c(C1)ccc1c2cccc1

STK851259
Synonyms: 1- oxo- N- (1,3- thiazol- 2- yl)- 1H- isothiochromene- 3- carboxamide
Smiles: O=C(c1cc2ccccc2c(=O)s1)Nc1nccs1

STK590009
Synonyms: N- [3- (1H- indol- 3- yl)propanoyl]threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CCc1c[nH]c2c1cccc2

STK590010
Synonyms: 1- (1,4- dioxa- 8- azaspiro[4.5]dec- 8- ylmethyl)- 3H- benzo[f]chromen- 3- one
Smiles: O=c1cc(CN2CCC3(CC2)OCCO3)c2c(o1)ccc1c2cccc1

STK851261
Synonyms: 6- ethyl- 2,5- dimethyl- 3- phenyl- N- (2- phenylethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCc1c(C)nc2n(c1NCCc1ccccc1)nc(c2c1ccccc1)C

STK590014
Synonyms: 4- methoxy- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NC12CC3CC(C2)CC(C1)C3

STK851262
Synonyms: 2- {[(2Z)- 4,7- dimethylquinazolin- 2(1H)- ylidene]amino}- 6- methylpyrimidin- 4- ol
Smiles: Cc1cc(O)nc(n1)/N=c/1\nc(C)c2c([nH]1)cc(cc2)C

STK590015
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (6- methylpyridin- 2- yl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cccc(n1)C

STK590017
Synonyms: 2- (2- {[5- tert- butyl- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidin- 7- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(nc2n1ncc2c1ccc(cc1)Cl)C(C)(C)C

STK590018
Synonyms: 2- (1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl)phenol
Smiles: Oc1ccccc1C1CC2C(C1(C)CC2)(C)C

STK590020
Synonyms: 4- {5- [(Z)- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)methyl]furan- 2- yl}benzenesulfonamide
Smiles: OC1=NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C(=N1)O

STK851264
Synonyms: 5- (2- chloro- 6- fluorobenzyl)- N- (3- hydroxypropyl)- 1,3,4- oxadiazole- 2- carboxamide
Smiles: OCCCNC(=O)c1nnc(o1)Cc1c(F)cccc1Cl

STK851268
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)acetamide
Smiles: CC(CN(C(=O)C)Cc1cc2ccc(cc2[nH]c1=O)C)C

STK590031
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2ccccc2)c2c(n1)CC(OC2)(C)C

STK590032
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 4- amine
Smiles: Brc1ccc(cc1)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK851270
Synonyms: 3- (quinolin- 6- ylamino)- 2- benzofuran- 1(3H)- one
Smiles: O=C1OC(c2c1cccc2)Nc1ccc2c(c1)cccn2

STK851272
Synonyms: 5- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (2- fluorophenyl)- 3- (2- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1F)c([nH]n2)c1ccccc1O

STK851273
Synonyms: 2- methyl- 3- phenyl- N- (1- phenylethyl)- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: CC(c1ccccc1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK590043
Synonyms: 1- benzyl2- (8- chloro- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)(2S)- pyrrolidine- 1,2- dicarboxylate
Smiles: O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3

STK590048
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (2- hydroxyethyl)- 4- [3- methoxy- 4- (3- methylbutoxy)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OCCC(C)C)c([nH]n2)c1cc(Cl)c(cc1O)C

STK590050
Synonyms: 7- chloro- 1- (4- ethylphenyl)- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK590052
Synonyms: (2S)- ({N- [(3- hydroxyquinoxalin- 1(2H)- yl)carbonyl]- L- phenylalanyl}amino)(phenyl)ethanoicacid
Smiles: OC1=Nc2ccccc2N(C1)C(=O)N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)O)Cc1ccccc1

STK851277
Synonyms: 4- oxo- N- [4- (pyrimidin- 2- ylsulfamoyl)phenyl]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

STK851278
Synonyms: ethyl7- (3,4- dimethoxyphenyl)- 2- methyl- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(N=c2n(C1c1ccc(c(c1)OC)OC)nc([nH]2)C)c1ccccc1

STK590053
Synonyms: (E)- 1- (2- methoxyphenyl)- N- (8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- ylmethoxy)methanimine
Smiles: COc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK590056
Synonyms: 1- [4- (propan- 2- yl)phenyl]- 2- (pyridin- 4- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2ccncc2)C(c2c1oc1ccccc1c2=O)c1ccc(cc1)C(C)C

STK590057
Synonyms: 8- hydrazinyl- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NN

STK590058
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(cc1Cl)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O

STK590061
Synonyms: 4- chloro- 5- [(2E)- 2- (2,4- dimethoxybenzylidene)hydrazinyl]pyridazin- 3- ol
Smiles: COc1cc(OC)ccc1/C=N/Nc1cnnc(c1Cl)O

STK851279
Synonyms: {[3- (3,4- dimethoxyphenyl)- 4- oxo- 4H- chromen- 7- yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)OC)OC

STK590064
Synonyms: N- (2,5- dimethylphenyl)- 5- (2- hydroxy- 4,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C)C

STK590065
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccccc1OC)C

STK851280
Synonyms: 2- methyl- N- (3- methylphenyl)- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Cc1cccc(c1)Nc1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK851281
Synonyms: 2- methyl- 8- (morpholin- 4- yl)- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCOCC2)CCC1

STK590071
Synonyms: 2- (4- chlorophenyl)- 11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK590076
Synonyms: N- [(4- sulfamoylbenzyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)S(=O)(=O)N

STK590077
Synonyms: 8- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)OCC(Cn1c2c(O)nc(=O)n(c2nc1n1nc(cc1C)C)C)O

STK590081
Synonyms: N- (1,3- benzodioxol- 5- ylcarbamoyl)- L- valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1ccc2c(c1)OCO2

STK851282
Synonyms: 2- [4- (4- methoxyphenyl)- 3- methyl- 1,2- oxazol- 5- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCC(=C)C

STK590084
Synonyms: [(4- chlorophenyl)(3- hydroxy- 5- methyl- 1H- pyrazol- 4- yl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(C)[nH]nc1O)c1ccc(cc1)Cl)C#N

STK851283
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (2- fluorophenoxy)butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(c(c1)OC)OC)Oc1ccccc1F

STK851284
Synonyms: 1- benzyl- 2- [(2- ethylpiperidin- 1- yl)carbonyl]- 7- methylpyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CCC1CCCCN1C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK590090
Synonyms: 9- (4- hydroxyphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: C=CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccc(cc1)O

STK590091
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2O)C(C)(C)C

STK590094
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)acetamide
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccc(cc1)C)c(SCC(=O)N)nn2

STK851288
Synonyms: 4- oxo- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 7- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F)CC

STK590096
Synonyms: 4- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)benzoicacid
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/CC)/C1=O)O

STK590099
Synonyms: 7- chloro- 1- [3- methoxy- 4- (2- methylpropoxy)phenyl]- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OCC(C)C)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK590103
Synonyms: 4- oxo- N- (pyridin- 4- ylmethyl)- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)NCc1ccncc1

STK590105
Synonyms: trans- 4- {[(N- {[(3S)- 2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}- L- leucyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: CC(C[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK590110
Synonyms: (E)- 1- (4- methoxyphenyl)- N- [(9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: COc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C

STK590112
Synonyms: 2- (7,8- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- [2- (3- fluorophenyl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCCc1cccc(c1)F

STK590115
Synonyms: N~5~- (4- methoxyphenyl)- 7- methyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: COc1ccc(cc1)Nc1nc2[nH]nc(c2c2c1CN(C)CC2)N

STK851292
Synonyms: ethyl(2E)- 2- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]imino}- 4- methyl- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)/C=C/c2ccc(c(c2)OC)OC)/[nH]c1C

STK590120
Synonyms: 8- (4- benzylpiperazin- 1- yl)- 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccccc1

STK590133
Synonyms: (2Z)- 6- [(3- chlorobenzyl)oxy]- 2- (4- nitrobenzylidene)- 1- benzofuran- 3(2H)- one
Smiles: Clc1cccc(c1)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O

STK590135
Synonyms: (2Z)- 7- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- oxo- 2- (thiophen- 2- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/C2=O

STK590141
Synonyms: 8- {[2- (trifluoromethyl)phenyl]sulfonyl}- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2c(C1)cc1c(c2)OCCCO1

STK590143
Synonyms: 2- (3,4- diethoxyphenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: CCOc1cc(ccc1OCC)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK590146
Synonyms: 7- (4- methoxyphenyl)- 5,6- dimethyl- N- (1,3- thiazol- 2- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccc(cc1)n1c2ncnc(c2c(c1C)C)Nc1nccs1

STK590153
Synonyms: 5- (2- hydroxy- 4,5- dimethylphenyl)- N- {4- [(2- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)c(cc1O)C

STK590154
Synonyms: N- [(4- chlorobenzyl)carbamoyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl)C

STK590156
Synonyms: methylN- [(2- methylphenyl)carbamoyl]- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccccc1C)CC(C)C

STK851294
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 4- oxo- N- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)Nc1ccc(cc1)C(C)C

STK590160
Synonyms: (4- hydroxy- 3,6,6- trimethyl- 4,5,6,7- tetrahydro- 1- benzofuran- 2- yl)(morpholin- 4- yl)methanone
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)N1CCOCC1

STK590161
Synonyms: N- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)COc1ccccc1

STK590162
Synonyms: N- (2,5- dimethoxybenzyl)- 5- fluoro- N- [2- (morpholin- 4- yl)ethyl]- 1H- indole- 2- carboxamide
Smiles: COc1ccc(cc1CN(C(=O)c1cc2c([nH]1)ccc(c2)F)CCN1CCOCC1)OC

STK590166
Synonyms: 4- (4- methoxyphenyl)- N- {4- [(4- methoxyphenyl)carbamoyl]phenyl}tetrahydro- 2H- pyran- 4- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)NC(=O)C1(CCOCC1)c1ccc(cc1)OC

STK590167
Synonyms: (2E)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- (4- ethylbenzyl)- 3- phenylprop- 2- enamide
Smiles: CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccccc1

STK851296
Synonyms: 2- [2- amino- 5- (3- methoxyphenoxy)pyrimidin- 4- yl]- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)F)N

STK590168
Synonyms: 6- hydroxy- 1',6'- dimethyl- 3- (propan- 2- yl)- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)C(C)C)O

STK590169
Synonyms: 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine- 8- thiol
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2S)CCC1

STK590177
Synonyms: ethyl2- [(4,7- dimethyl- 1,2- dihydroquinazolin- 2- yl)amino]- 4- methylpyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1C)NC1Nc2cc(C)ccc2C(=N1)C

STK590178
Synonyms: (5Z)- 5- [(2E)- 3- (3,4- dimethoxyphenyl)- 1- hydroxyprop- 2- en- 1- ylidene]- 6- hydroxy- 3- (3- methoxypropyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COCCCN1C(=O)N=C(/C(=C(\C=C\c2ccc(c(c2)OC)OC)/O)/C1=O)O

STK590181
Synonyms: 2'- (1,3- benzothiazol- 2- ylamino)- 7',8'- dihydro- 6'H- spiro[cyclohexane- 1,4'- quinazolin]- 5'- ol
Smiles: OC1=C2C(=NC(=NC32CCCCC3)Nc2nc3c(s2)cccc3)CCC1

STK590183
Synonyms: (4E)- 2- (4- chlorophenyl)- 4- {[(2- hydroxyethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)Cl)C(=O)c2c1cccc2

STK590186
Synonyms: 7- hydroxy- 5- (3- methoxyphenyl)- 2- methyl- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1cccc(c1)C1CC(=Nc2c1c(=O)[nH]c(n2)C)O

STK590189
Synonyms: (3E)- 4- imino- 8- (methylsulfonyl)- 3- (1H- pyrrol- 2- ylmethylidene)- 3,4- dihydro- 2H- pyrimido[2,1- b][1,3]benzothiazol- 2- one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C\c1ccc[nH]1)ccc(c3)S(=O)(=O)C

STK851297
Synonyms: 6- chloro- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C

STK851298
Synonyms: 1- benzyl- N- (4- methoxyphenyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK851300
Synonyms: N- (3- carbamoyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)oc(cc2=O)C(=O)Nc1sc2c(c1C(=O)N)CCCC2

STK590192
Synonyms: 3- (furan- 2- ylmethyl)- 4- imino- 5- (2- methoxyphenyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c(=N)n(cn2)Cc1ccco1)O

STK590193
Synonyms: 1,7- dimethyl- 8- (2- phenylethyl)- 3- [2- (piperidin- 1- yl)ethyl]- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1cn2c(n1CCc1ccccc1)nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK590194
Synonyms: N- (5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 4- nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])n2c(n1)ncn2

STK851302
Synonyms: furan- 2- yl{4- [(1- methyl- 5- nitro- 1H- benzimidazol- 2- yl)methyl]piperazin- 1- yl}methanone
Smiles: [O-][N+](=O)c1ccc2c(c1)nc(n2C)CN1CCN(CC1)C(=O)c1ccco1

STK590196
Synonyms: N- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)pyridine- 3- carboxamide
Smiles: CC1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)c1cccnc1

STK590199
Synonyms: 1,7- dimethyl- 4- oxo- N- [4- (propan- 2- yl)phenyl]- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1ccc(cc1)C(C)C)C

STK590202
Synonyms: 4- ethyl- 9- (pyridin- 2- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1ccc1c2CN(CO1)Cc1ccccn1

STK590206
Synonyms: 2- [(6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- [3- (morpholin- 4- yl)propyl]propanamide
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCCCN1CCOCC1)C

STK590208
Synonyms: 3- (4- fluorophenyl)- 11- methyl- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O

STK590209
Synonyms: 5- (benzyloxy)- 2- [4- (4- chlorophenyl)- 3- methyl- 1,2- oxazol- 5- yl]phenol
Smiles: Clc1ccc(cc1)c1c(C)noc1c1ccc(cc1O)OCc1ccccc1

STK590210
Synonyms: N- (2- methoxyethyl)- 4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: COCCNc1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C

STK851303
Synonyms: 2- methoxyethyl1,2- dimethyl- 5- [(thiophen- 2- ylcarbonyl)oxy]- 1H- indole- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)c1cccs1)C

STK590211
Synonyms: 8,8- dimethyl- 4- (4- methylpiperazin- 1- yl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C

STK851305
Synonyms: 1- (3- methoxypropyl)- 9- methyl- 2- [(3- methylpiperidin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCCC(C1)C

STK590213
Synonyms: 4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- [2- (4- fluorophenyl)ethyl]benzamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK851306
Synonyms: N- [(2Z)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 2- (2- oxo- 1,3- benzoxazol- 3(2H)- yl)acetamide
Smiles: Cc1ccc(cc1)c1cs/c(=N\C(=O)Cn2c(=O)oc3c2cccc3)/[nH]1

STK590216
Synonyms: N- [5- oxo- 2- (trifluoromethyl)- 4,5- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: O=C(c1ccccc1)Nc1cc(=O)[nH]c2n1nc(n2)C(F)(F)F

STK590219
Synonyms: methyl4- {[7- (benzyloxy)- 2- methyl- 4- oxo- 4H- chromen- 3- yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1

STK590221
Synonyms: ethyl4- (6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK590223
Synonyms: N- [3- (4- methylphenyl)- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c(NC(=O)c2ccco2)oc2c(c1=O)cccc2

STK851308
Synonyms: 4- (3- methylphenoxy)- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: Cc1cccc(c1)OCCCC(=O)/N=c\1/[nH]nc(s1)C

STK590224
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- [4- (4- fluorophenyl)piperazin- 1- yl]propan- 1- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)CCn1cnc2c1cccc2

STK590228
Synonyms: 1- [10- (furan- 2- yl)- 8- methyl- 2- (pyridin- 4- yl)- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccco1)c1nc(nn1cn2)c1ccncc1

STK590231
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- (2- chlorophenyl)- 6- [3- (trifluoromethyl)phenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccccc1Cl

STK590232
Synonyms: 5- [(2,5- dimethylbenzyl)oxy]- 2- (5- phenylpyrimidin- 4- yl)phenol
Smiles: Cc1ccc(c(c1)COc1ccc(c(c1)O)c1ncncc1c1ccccc1)C

STK590234
Synonyms: 4'- amino- 9',10'- dimethoxy- 7- oxo- 2,3,6,6',7,7'- hexahydrospiro[1,4- dioxino[2,3- f]indole- 8,2'- pyrido[2,1- a]isoquinoline]- 3'- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc(c(c3)OC)OC

STK590239
Synonyms: 1- {4- [(4- chlorobenzyl)oxy]phenyl}- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)OCc1ccc(cc1)Cl)c(=O)c1c(o2)cccc1

STK590244
Synonyms: 7- propyl- 14H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 14- one
Smiles: CCCc1nc2oc3ccccc3c(=O)c2c2n1c1ccccc1n2

STK851311
Synonyms: 3- (2- methoxyphenyl)- 5- methyl- N- (2- phenylethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NCCc1ccccc1

STK590247
Synonyms: N- [(3,5- dimethylpiperidin- 1- yl)carbonyl]- L- valine
Smiles: CC1CC(C)CN(C1)C(=O)N[C@H](C(=O)O)C(C)C

STK851312
Synonyms: N- [4- cyano- 2- hydroxy- 5- methyl- 3- (trifluoromethyl)- 3H- pyrrol- 3- yl]- 3- methoxybenzamide
Smiles: N#CC1=C(C)N=C(C1(NC(=O)c1cccc(c1)OC)C(F)(F)F)O

STK590249
Synonyms: N- [(2Z)- 5,5- dioxido- 3- phenyltetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccccc1)CS(=O)(=O)C2

STK851313
Synonyms: 1- benzyl- 2- [(2- ethylpiperidin- 1- yl)carbonyl]- 9- methylpyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CCC1CCCCN1C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK590254
Synonyms: N- ({4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)- L- valine
Smiles: O=C(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)N[C@H](C(=O)O)C(C)C

STK590255
Synonyms: 7- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)CC(=C)C)n2c(n1)c(cn2)c1ccccc1)C

STK590258
Synonyms: N,N- diethyl- N'- (2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)CC

STK590259
Synonyms: N- (3- methyl- 1- phenyl- 1H- pyrazol- 5- yl)- 1- phenyl- 1H- tetrazol- 5- amine
Smiles: Cc1cc(n(n1)c1ccccc1)Nc1nnnn1c1ccccc1

STK851315
Synonyms: 2- methoxyethyl5- {[(4- methoxyphenyl)sulfonyl]oxy}- 2- methyl- 1- benzofuran- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(cc2)OS(=O)(=O)c1ccc(cc1)OC

STK590262
Synonyms: 2- hydroxy- 7- methoxy- 3- {[(E)- (2,4,6- trimethylcyclohex- 3- en- 1- yl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/C1C(C)CC(=CC1C)C)O

STK851317
Synonyms: 1- (3- methylphenyl)- N- (4- methylphenyl)- 4- oxo- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1nn(ccc1=O)c1cccc(c1)C

STK590268
Synonyms: N~2~- [(4- methylphenyl)sulfonyl]- N- [3- (1H- tetrazol- 1- yl)phenyl]methioninamide
Smiles: CSCCC(C(=O)Nc1cccc(c1)n1cnnn1)NS(=O)(=O)c1ccc(cc1)C

STK851318
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK590269
Synonyms: (5Z)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- (3- ethoxy- 4- propoxybenzylidene)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: CCCOc1ccc(cc1OCC)/C=C/1\C(=O)N(C2CCS(=O)(=O)C2)C(=O)C(=C1C)C#N

STK590270
Synonyms: 2- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 3- yl]- 5- [(2,5- dimethylbenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1cc(C)ccc1C

STK590275
Synonyms: 2- [(2,6- dichlorobenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1cccc(c1CNc1nc2n(n1)c(O)c(c(n2)C)C)Cl

STK590279
Synonyms: 2,2- dimethyl- N- (2- methylphenyl)tetrahydro- 2H- pyran- 4- carboxamide
Smiles: O=C(C1CCOC(C1)(C)C)Nc1ccccc1C

STK590282
Synonyms: 3- (4- chlorophenyl)- 1- [2- (dimethylamino)ethyl]- 7- ethyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: CCN1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CCN(C)C)c1ccc(cc1)Cl

STK851319
Synonyms: 2- ethyl- 10- methyl- 3- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCn1c(CC)nc2c(c1=O)c(=O)c1c(n2C)cccc1

STK590288
Synonyms: (3aR,6aS)- 5- cyclohexyl- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)C1CCCCC1

STK590289
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NC1CCCc2c1cccc2)C

STK590290
Synonyms: 3- [(3- hydroxyquinoxalin- 2- yl)(phenyl)methyl]pentane- 2,4- dione
Smiles: CC(=O)C(C(c1nc2ccccc2nc1O)c1ccccc1)C(=O)C

STK590291
Synonyms: (4E)- 2- (4- chlorophenyl)- 4- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2

STK590292
Synonyms: 1- (4- methylphenyl)- 4- (4- nitrophenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)CC(C2=C1COC2=O)c1ccc(cc1)[N+](=O)[O-]

STK851321
Synonyms: 5- methyl- N- [2- (morpholin- 4- yl)ethyl]- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCCN2CCOCC2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK590306
Synonyms: 5- [(3- {(5E)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}propanoyl)amino]- 2- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)S/C(=C/C=C/c2ccco2)/C1=O

STK590307
Synonyms: 5- amino- 3,4'- bipyridin- 6(1H)- one
Smiles: O=c1[nH]cc(cc1N)c1ccncc1

STK590312
Synonyms: N- [5- (4- chlorophenyl)- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4- tetrahydro- 6H- pyrrolo[3,4- d]pyrimidin- 6- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nn1cc2c(c1c1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK590314
Synonyms: N'- (5,6- diphenylfuro[2,3- d]pyrimidin- 4- yl)- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNc1ncnc2c1c(c1ccccc1)c(o2)c1ccccc1)C

STK590317
Synonyms: 2- amino- 4- (2,4- dimethoxyphenyl)- 5- hydroxy- 4H- pyrano[3,2- c]quinoline- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1OC)OC)c(O)nc1c2cccc1

STK590322
Synonyms: ethyl5- methyl- 7- (3- nitrophenyl)- 2- (trifluoromethyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])nc([nH]2)C(F)(F)F

STK590326
Synonyms: 6'- hydroxy- 3',4- dimethyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1C)CN(C)c1c(C2)c2ccccc2cc1

STK590327
Synonyms: 4- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (2- methoxyethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK590331
Synonyms: N- (2- methoxyethyl)- 2- methyl- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: COCCN(C(=O)C(C)C)Cc1cc2cccc(c2[nH]c1=O)C

STK851326
Synonyms: ethyl5- acetyl- 2- [(3- chloroquinoxalin- 2- yl)amino]- 4- methylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(c1C)C(=O)C

STK590339
Synonyms: 3- (4- chlorophenyl)- 7- [4- (diphenylmethyl)piperazin- 1- yl]- 5- methylpyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK851328
Synonyms: 1- [5- (furan- 2- yl)- 1',3'- diphenyl- 3,4- dihydro- 1'H,2H- 3,4'- bipyrazol- 2- yl]ethanone
Smiles: CC(=O)N1N=C(CC1c1cn(nc1c1ccccc1)c1ccccc1)c1ccco1

STK851329
Synonyms: 2- (2- methylphenoxy)- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]acetamide
Smiles: O=C(Nc1onc(c1)c1ccc(cc1)C)COc1ccccc1C

STK590345
Synonyms: 1- ({(4E)- 6- amino- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- yl}methyl)piperidine- 4- carboxamide
Smiles: COc1ccccc1/N=c\1/nc(CN2CCC(CC2)C(=O)N)nc([nH]1)N

STK590347
Synonyms: 2- amino- N- (6- methylheptan- 2- yl)- 1- (3,4,5- trimethoxybenzyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COc1cc(cc(c1OC)OC)Cn1c(N)c(c2c1nc1ccccc1n2)C(=O)NC(CCCC(C)C)C

STK590354
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- methoxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK801765
Synonyms: 5- amino- 1- (1- phenylpiperidin- 4- yl)- 1H- pyrazol- 3- ol
Smiles: Oc1nn(c(c1)N)C1CCN(CC1)c1ccccc1

STK851331
Synonyms: 6- benzyl- 2- [(2- chloro- 6- fluorobenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)NCc1c(F)cccc1Cl

STK590357
Synonyms: N- [3- oxo- 2- (trifluoromethyl)- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 2- yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK851333
Synonyms: 1- benzyl- 7- methyl- N- (2- methylpropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CC(CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C)C

STK590362
Synonyms: (3aR,6aS)- 3- (2- chlorophenyl)- 5- (2,3- dimethylphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1[C@H]2ON=C([C@H]2C(=O)N1c1cccc(c1C)C)c1ccccc1Cl

STK851335
Synonyms: methyl1- {[1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 2- yl]carbonyl}piperidine- 4- carboxylate
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CCC(CC1)C(=O)OC

STK590368
Synonyms: N- {[4- (trifluoromethoxy)phenyl]carbamoyl}- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OC(F)(F)F)C

STK590369
Synonyms: 2- [(4- chlorobenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Clc1ccc(cc1)CNc1[nH]c2n(n1)c(=O)c(c(n2)C)C

STK590373
Synonyms: 5- [5- (1,3- benzodioxol- 5- yl)pyrazolidin- 3- ylidene]- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=C2NNC(C2)c2ccc3c(c2)OCO3)C(=O)N1C

STK851337
Synonyms: (2Z)- 2- (4- ethylbenzylidene)- 6- hydroxy- 1- benzofuran- 3(2H)- one
Smiles: CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)O

STK590374
Synonyms: 6- benzyl- 2- [(4- methoxybenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: COc1ccc(cc1)CNc1nn2c([nH]1)nc(c(c2=O)Cc1ccccc1)C

STK851338
Synonyms: 2- methyl- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(C)C(c2c1oc1ccccc1c2=O)c1ccccc1

STK851339
Synonyms: 2- methyl- 3- phenyl- 8- (pyrrolidin- 1- yl)- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCCC2)CCC1

STK590383
Synonyms: 1- [5- hydroxy- 2- (pyridin- 3- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1cc(O)nc2n1nc(n2)c1cccnc1

STK590386
Synonyms: 9- (3- chlorophenyl)- 6- methyl- 2,3,9,10- tetrahydro- 8H- cyclopenta[3,4]chromeno[6,7- e][1,3]oxazin- 4(1H)- one
Smiles: Clc1cccc(c1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK590390
Synonyms: 13,13- dimethyl- 7- oxo- N- (pyridin- 3- ylmethyl)- 7,11b,12,13- tetrahydro- 5H- isoindolo[2,1- b][2]benzazepine- 8- carboxamide
Smiles: O=C(c1cccc2c1C(=O)N1C2CC(C)(C)c2c(C1)cccc2)NCc1cccnc1

STK590393
Synonyms: 2- {(E)- [1- (2- ethoxyphenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- N- phenylhydrazinecarbothioamide
Smiles: CCOc1ccccc1N1C(=O)N=C(/C(=C\NNC(=S)Nc2ccccc2)/C1=O)O

STK590395
Synonyms: (2- methyl- 1,1- dioxido- 4- propoxy- 2H- 1,2- benzothiazin- 3- yl)(morpholin- 4- yl)methanone
Smiles: CCCOC1=C(C(=O)N2CCOCC2)N(C)S(=O)(=O)c2c1cccc2

STK590399
Synonyms: 6,8- dimethyl- 2- [(4- methylpiperazin- 1- yl)carbonyl]- 4H- chromen- 4- one
Smiles: CN1CCN(CC1)C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C

STK590405
Synonyms: 9- (3- chlorophenyl)- 10- [(2- methoxyethyl)amino]- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: COCCNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CC(C)(C)OC1)C

STK590407
Synonyms: 2- [(1R,4aS,8aS)- 1- (4- fluorophenyl)- 4a- hydroxyoctahydroisoquinolin- 2(1H)- yl]- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(CN1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1)F)CCCC2)O)NCc1ccco1

STK590408
Synonyms:
Smiles: CCC([C@@H](C(=O)NC1CCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK851345
Synonyms: 2- (4,6- dimethyl- 1- benzofuran- 3- yl)- N- (2- methylphenyl)acetamide
Smiles: O=C(Cc1coc2c1c(C)cc(c2)C)Nc1ccccc1C

STK590412
Synonyms: 7- methyl- 8- (phenylsulfonyl)- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1ccccc1

STK590414
Synonyms: 12- phenyl- 2- (thiophen- 2- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccccc1)c1c(O2)ncn2c1nc(n2)c1cccs1

STK590415
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- fluoro- N- methyl- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N(C1CCS(=O)(=O)C1)C

STK590417
Synonyms: furan- 2- yl[4- (4,5,6,7- tetrahydro- 2H- indazol- 3- ylcarbonyl)piperazin- 1- yl]methanone
Smiles: O=C(c1[nH]nc2c1CCCC2)N1CCN(CC1)C(=O)c1ccco1

STK590421
Synonyms: 6- (butan- 2- yl)- 1- (pyridin- 3- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCC(N1CNc2c(C1)c(=O)nc(n2Cc1cccnc1)S)C

STK590436
Synonyms: 4- (4- chloro- 2- methylphenoxy)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)butan- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCCOc1ccc(cc1C)Cl

STK590440
Synonyms: [4- (4- fluorophenyl)piperazin- 1- yl](5- methoxy- 3- methyl- 1H- indol- 2- yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCN(CC1)c1ccc(cc1)F

STK590441
Synonyms: (2R)- 2- amino- 4- methyl- N'- [(E)- quinoxalin- 6- ylmethylidene]pentanehydrazide(non- preferredname)
Smiles: CC(C[C@H](C(=O)N/N=C/c1ccc2c(c1)nccn2)N)C

STK590442
Synonyms: 1- (1- {6- [4- (2- hydroxyethyl)piperazin- 1- yl]pyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: OCCN1CCN(CC1)c1ncnc(c1)n1ncc(c1C)C(=O)C

STK590445
Synonyms: 1- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)pyrrolidinium- 2- carboxylate
Smiles: CCc1nc2c3ccccc3oc2c(n1)[NH+]1CCCC1C(=O)[O-]

STK590450
Synonyms: {(5S)- 3- [2- (benzyloxy)phenyl]- 5- [(2,4- dimethylphenyl)carbamoyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(cc1C)C

STK851352
Synonyms: ethyl7- amino- 3- carbamoylpyrazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)c1cnc2n(c1N)ncc2C(=O)N

STK590454
Synonyms: N'- (8- bromo[1]benzofuro[3,2- d]pyrimidin- 4- yl)- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1oc1c2cc(cc1)Br)CC

STK590457
Synonyms: 7- (4- benzylpiperidin- 1- yl)- 5- tert- butyl- 3- (4- chlorophenyl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCC(CC1)Cc1ccccc1)C(C)(C)C

STK590458
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)- 6- methylpyrimidin- 4- yl]- 5- [(3,4- dichlorobenzyl)oxy]phenol
Smiles: Nc1nc(C)c(c(n1)c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)c1ccc(cc1)Cl

STK590459
Synonyms: N,N- dimethyl- 2- [(2- phenyl- 5,6,7,8- tetrahydroquinazolin- 4- yl)sulfanyl]ethanamine
Smiles: CN(CCSc1nc(nc2c1CCCC2)c1ccccc1)C

STK590461
Synonyms: 6- hydroxy- 1,3,8,8- tetramethyl- 5- phenyl- 5,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2,4(1H,3H)- dione
Smiles: OC1=C2C(=Nc3c(C2c2ccccc2)c(=O)n(c(=O)n3C)C)CC(C1)(C)C

STK851355
Synonyms: ethyl2- [(2Z)- 1,3- benzothiazol- 2(3H)- ylideneamino]- 4- propylpyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1CCC)/N=c/1\sc2c([nH]1)cccc2

STK590466
Synonyms: N- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCSc1nnc(s1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK590470
Synonyms: 2- [(3- benzyl- 4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (3- hydroxypropyl)acetamide
Smiles: OCCCNC(=O)COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1

STK851356
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)/N=c/1\sc2c([nH]1)cccc2

STK590472
Synonyms: 3- [4- (propan- 2- yl)phenyl]- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: CC(c1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O)C

STK590474
Synonyms: 1- (2- methyl- 5- nitro- 1H- imidazol- 1- yl)propan- 2- ol
Smiles: CC(Cn1c(C)ncc1[N+](=O)[O-])O

STK590477
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: OC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK590478
Synonyms: methyl(2- amino- 7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 6- yl)acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)N

STK590483
Synonyms: N- [(2- methylpropyl)carbamoyl]- D- leucine
Smiles: CC(CNC(=O)N[C@@H](C(=O)O)CC(C)C)C

STK590484
Synonyms: pyridin- 3- yl3,6,6- trimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxylate
Smiles: O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)Oc1cccnc1

STK590485
Synonyms: propyl4- ({7- [(2,5- dimethylbenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cc(C)ccc1C

STK590489
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- phenylalanine
Smiles: OC(=O)[C@@H](Nc1nc(nc2c1oc1c2cccc1)c1ccccc1)Cc1ccccc1

STK590492
Synonyms: [(5S)- 5- (benzylcarbamoyl)- 3- (2,4- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: COc1cc(OC)ccc1C1=NO[C@@](C1)(CC(=O)O)C(=O)NCc1ccccc1

STK851358
Synonyms: 2- [5- (2- bromophenoxy)pyrimidin- 4- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1ncncc1Oc1ccccc1Br

STK590494
Synonyms: 8- chloro- 1- methyl- 6- phenyl- 4H- [1,2,4]triazolo[4,3- a][1,4]benzodiazepine
Smiles: Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1

STK590498
Synonyms: methylN- [(3,4- dimethoxybenzyl)carbamoyl]- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)NCc1ccc(c(c1)OC)OC)CC(C)C

STK590500
Synonyms: (2E)- N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3- (furan- 2- yl)prop- 2- enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccco1

STK590501
Synonyms: 1- benzyl- N- (4- butylphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCCCc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK590502
Synonyms: methylN- [(2,4- dimethoxybenzyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1ccc(cc1OC)OC

STK851359
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 1,9- dimethyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: O=C(c1cc2c(n1C)nc1n(c2=O)cccc1C)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK590503
Synonyms: 2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (2,2,6,6- tetramethylpiperidin- 4- yl)acetamide
Smiles: O=C(NC1CC(C)(C)NC(C1)(C)C)COc1ccc2c(c1)oc(=O)cc2C

STK590505
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)c(C)cc(c1)C

STK590506
Synonyms: (8aR)- 7- [3- (trifluoromethyl)benzyl]tetrahydro[1,3]thiazolo[3,4- a]pyrazine- 5,8- dione
Smiles: O=C1N(Cc2cccc(c2)C(F)(F)F)CC(=O)N2[C@H]1CSC2

STK590512
Synonyms: 2- phenyl- N- (pyridin- 2- ylmethyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: c1ccc(nc1)CNc1nc(nc2c1oc1c2cccc1)c1ccccc1

STK590513
Synonyms: 6- (4- methoxyphenyl)- 3- (2- methylpropyl)[1,2,4]triazolo[3,4- a]phthalazine
Smiles: COc1ccc(cc1)c1nn2c(nnc2c2c1cccc2)CC(C)C

STK851360
Synonyms: methyl4- [3- (2- hydroxyphenyl)- 5- (4- methoxybenzyl)- 6- oxo- 2,4,5,6- tetrahydropyrrolo[3,4- c]pyrazol- 4- yl]benzoate
Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c([nH]n2)c1ccccc1O

STK590515
Synonyms: 1- [1- (6- {[3- (dimethylamino)propyl]amino}pyrimidin- 4- yl)- 5- methyl- 1H- pyrazol- 4- yl]ethanone
Smiles: CN(CCCNc1ncnc(c1)n1ncc(c1C)C(=O)C)C

STK590523
Synonyms: 7- (4- fluorophenyl)- 2- (2- phenylethyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Fc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)CCc1ccccc1

STK590526
Synonyms: 4- amino- 2'- oxo- 1',2',6,7,11,12- hexahydro- 10H- spiro[1,4- dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 2,3'- indole]- 3- carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cccc1)cc1c(c3)OCCCO1

STK851362
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (2,4- dihydroxyphenyl)ethanone
Smiles: Oc1ccc(c(c1)O)C(=O)Cc1nc2c(s1)cccc2

STK590529
Synonyms: 2- [10- methyl- 11- (4- methylphenyl)- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Cc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccccc1

STK851363
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- 7- (morpholin- 4- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(cc2N1CCOCC1)C(C)(C)C

STK590531
Synonyms: 3,3- dimethyl- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: OC1=C2C=Nc3c(N=C2CC(C1)(C)C)cccc3

STK590536
Synonyms: 4- (3- methoxyphenyl)- 3- methyl- 5- (4- methylphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cccc(c1)C1N(c2ccc(cc2)C)C(=O)c2c1c(C)[nH]n2

STK590541
Synonyms: 1- (5- benzyl- 4- hydroxy- 6- methylpyrimidin- 2- yl)- 3- (3,4- dimethylphenyl)guanidine
Smiles: N=C(Nc1ccc(c(c1)C)C)Nc1nc(C)c(c(n1)O)Cc1ccccc1

STK851367
Synonyms: N- benzyl- 6,8- dimethyl- 4- oxo- N- (pyridin- 2- yl)- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(c1ccccn1)Cc1ccccc1

STK590545
Synonyms: 12- (furan- 2- yl)- 2- (4- methoxybenzyl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: COc1ccc(cc1)Cc1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O

STK590546
Synonyms: [4- (difluoromethoxy)- 3- methoxyphenyl](6,7- dimethoxy- 1- methylidene- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc(ccc1OC(F)F)C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC

STK590550
Synonyms: 5- [(3,4- dichlorobenzyl)oxy]- 2- (4- phenyl- 1H- pyrazol- 5- yl)phenol
Smiles: Oc1cc(ccc1c1[nH]ncc1c1ccccc1)OCc1ccc(c(c1)Cl)Cl

STK590551
Synonyms: 3- [3- (diethylamino)propyl]- 5- (furan- 2- yl)- 4- imino- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: CCN(CCCn1cnc2c(c1=N)C(c1ccco1)c1c(O2)cc(cc1)O)CC

STK851372
Synonyms: N- benzyl- 2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCc2ccccc2)CCCC1

STK590554
Synonyms: (4E)- 4- [(1- {2- hydroxy- 3- [(4- methoxyphenyl)amino]propyl}- 1H- indol- 3- yl)methylidene]- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)NCC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)O

STK590556
Synonyms: 1- (3,4- dichlorophenyl)- 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)c(C)cc(c1)C

STK590559
Synonyms: 8- [(2- aminoethyl)amino]- 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: NCCNc1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

STK590561
Synonyms: ethyl4- {[(5- fluoro- 1H- indol- 2- yl)carbonyl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c([nH]1)ccc(c2)F

STK851374
Synonyms: 2- [(1,5- dicyano- 4- hydroxy- 3- azaspiro[5.5]undeca- 1,3- dien- 2- yl)sulfanyl]acetamide
Smiles: N#CC1C(=NC(=C(C21CCCCC2)C#N)SCC(=O)N)O

STK590569
Synonyms: 5- (phenoxymethyl)- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(COc2ccccc2)n[nH]c1=S)OC

STK590570
Synonyms: 1,2,3,9- tetrahydropyrrolo[2,1- b]quinazolin- 3- yl(5- methoxy- 2- methyl- 4- nitrophenyl)carbamate
Smiles: COc1cc(NC(=O)OC2CCN3C2=Nc2ccccc2C3)c(cc1[N+](=O)[O-])C

STK590572
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK851375
Synonyms: 1- (3- methoxypropyl)- N- (naphthalen- 1- yl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1cccc2c1cccc2

STK851376
Synonyms: 1- (4- methylphenyl)- 4- (3,4,5- trimethoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1c(OC)cc(cc1OC)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)C

STK851377
Synonyms: 2- (trifluoromethyl)- 6,7- dihydro- 5H- cyclopenta[d][1,2,4]triazolo[1,5- a]pyrimidin- 8- ol
Smiles: Oc1c2CCCc2nc2n1nc(n2)C(F)(F)F

STK590585
Synonyms: ethyl4- (2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CCC

STK590586
Synonyms: 8- [(diethylammonio)methyl]- 3- (2- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](CC)CC)[O-]

STK590589
Synonyms: tert- butyl(3S)- 3- ({(2S)- 1- [(4- methoxyphenyl)amino]- 1- oxopropan- 2- yl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK590591
Synonyms: benzyl2- amino- 6- (hydroxymethyl)- 8- oxo- 4- (pyridin- 3- yl)- 4,8- dihydropyrano[3,2- b]pyran- 3- carboxylate
Smiles: OCc1cc(=O)c2c(o1)C(c1cccnc1)C(=C(O2)N)C(=O)OCc1ccccc1

STK590594
Synonyms: (2R)- {[(2S)- 2- (2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 4- methylpentanoyl]amino}(phenyl)ethanoicacid
Smiles: CC(C[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)C(=O)N[C@H](c1ccccc1)C(=O)O)C

STK590595
Synonyms: N- [(2E)- 3- (4- acetylphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1c1ccc(cc1)C(=O)C)CS(=O)(=O)C2

STK590596
Synonyms: 1'- (2- methoxyethyl)- 8- nitro- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: COCCN1C(=O)NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCC1)[N+](=O)[O-]

STK851383
Synonyms: methyl[1,7- dimethyl- 2,4- dioxo- 8- (2- phenylethyl)- 1,2,4,8- tetrahydro- 3H- imidazo[2,1- f]purin- 3- yl]acetate
Smiles: COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CCc1ccccc1)C

STK590602
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 6- methyl- N- (thiophen- 2- ylmethyl)heptan- 1- amine
Smiles: CC(CCC(C1CCOC(C1)(C)C)CCNCc1cccs1)C

STK590604
Synonyms: 9- [(E)- 2- phenylethenyl]- 6- (thiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2/C=C/c2ccccc2)ncn3)CC(C1)c1cccs1

STK590608
Synonyms: 4,4- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H,6H- spiro[cyclohexane- 1,4'- pyrrolo[1,2- a]quinoline]- 2,6- dione
Smiles: O=C1CC(C)(C)CC(=O)C21Cc1ccccc1N1C2CCC1

STK590609
Synonyms: 4- [(E)- (8- ethoxy- 4- iminio- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]benzoate
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C/c3ccc(cc3)C(=O)[O-])/C(=[NH2+])n21

STK590612
Synonyms: 7'- {[1- (1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)ethyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CN1C(=O)N(C)C(=O)C(=C(Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C)C1=O

STK851386
Synonyms: methyl[3- (4- chlorophenyl)- 7- hydroxy- 2- methylpyrazolo[1,5- a]pyrimidin- 5- yl]acetate
Smiles: COC(=O)Cc1cc(O)n2c(n1)c(c1ccc(cc1)Cl)c(n2)C

STK851387
Synonyms: propyl4- {[5- (2,4- dihydroxyphenyl)- 1H- pyrazol- 4- yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1cn[nH]c1c1ccc(cc1O)O

STK590614
Synonyms: 2- methyl- 3- phenyl- 9- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCCC2)CCCC1

STK851388
Synonyms: 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: C1CCc2c(C1)c1c(s2)ncn2c1ncn2

STK590617
Synonyms: propan- 2- yl{[3- cyano- 4- (furan- 2- yl)- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OC(C)C)N=C2C(=C(O)CCC2)C1c1ccco1

STK851389
Synonyms: N- [(2Z)- 5- tert- butyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (2- oxo- 1,3- benzoxazol- 3(2H)- yl)acetamide
Smiles: O=C(Cn1c(=O)oc2c1cccc2)/N=c\1/[nH]nc(s1)C(C)(C)C

STK590622
Synonyms: N- (furan- 2- ylmethyl)- 5,10,10- trimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)NCc1ccco1

STK590624
Synonyms: ethyl1- [(5- fluoro- 1H- indol- 2- yl)carbonyl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)F

STK851390
Synonyms: 2- methyl- N- (2- methylpropyl)- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(NCC(C)C)n2c(n1)c(c1ccccc1)c(n2)C

STK590629
Synonyms: (5s,7s)- 2- (2,4- dichlorophenyl)- 5- methyl- 7- phenyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: Clc1ccc(c(c1)Cl)C1N2C[C@@]3(CN1C[C@](C2)(C3=O)c1ccccc1)C

STK590632
Synonyms: 3'- cyclohexyl- 6'- hydroxy- 4- methyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1C1CCCCC1)CN(C)c1c(C2)c2ccccc2cc1

STK590636
Synonyms: 7- methyl- 1- [3- (7- methyl- 6H- indolo[2,3- b]quinoxalin- 6- yl)propyl]- 1H- indole- 2,3- dione
Smiles: O=C1c2cccc(c2N(C1=O)CCCn1c2nc3ccccc3nc2c2c1c(C)ccc2)C

STK590637
Synonyms: 3- (3- chlorophenyl)- 11- methyl- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Clc1cccc(c1)C1CC(=C2C(=Nc3ccccc3N=C2C)C1)O

STK590644
Synonyms: 4- (2- ethoxyphenoxy)[1,2,4]triazolo[4,3- a]quinoxaline
Smiles: CCOc1ccccc1Oc1nc2ccccc2n2c1nnc2

STK590646
Synonyms: 1- (6- ethyl- 2- methylthieno[2,3- d]pyrimidin- 4- yl)piperidine- 4- carboxylicacid
Smiles: CCc1cc2c(s1)nc(nc2N1CCC(CC1)C(=O)O)C

STK590651
Synonyms: 7- chloro- 2- (methylsulfanyl)- 3- (propan- 2- yl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CSc1nc2oc3ccc(cc3c(=O)c2c(=O)n1C(C)C)Cl

STK590652
Synonyms: 6- butyl- 2- (ethylsulfanyl)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCCc1c(C)nc2n(c1O)nc(n2)SCC

STK590657
Synonyms: 6- [3- (4- tert- butylphenoxy)propyl]- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(cc1)C(C)(C)C

STK590660
Synonyms: N- (2- methoxyethyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: COCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK590661
Synonyms: 2- (5- bromo- 2- hydroxyphenyl)quinazolin- 4- ol
Smiles: Brc1ccc(c(c1)c1nc(O)c2c(n1)cccc2)O

STK590662
Synonyms: 2- [(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]hydrazinecarboxamide
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NNC(=O)N

STK590664
Synonyms: 4- imino- 2- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(c(c1)OC)OC(C)C

STK590668
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 6- hydroxy- 3- methyl- 7- (2- methylpropyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2CC(C)C)c(O)nc(=O)n3C)/C(=N1)O

STK851394
Synonyms: (5E)- 5- (3,4- dimethoxybenzylidene)- 4- hydroxy- 1,3- thiazol- 2(5H)- one
Smiles: COc1cc(ccc1OC)/C=C\1/SC(=O)N=C1O

STK851395
Synonyms: N- (4- bromophenyl)- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Brc1ccc(cc1)Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK590682
Synonyms: 2- (3,4- dimethoxyphenyl)- 9- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1cc(ccc1OC)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C

STK590683
Synonyms: N- (3- hydroxypropyl)- 2- [(6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]propanamide
Smiles: OCCCNC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C

STK590689
Synonyms: N- [(4- sulfamoylphenyl)carbamoyl]- L- alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc(cc1)S(=O)(=O)N

STK590691
Synonyms: 1- benzyl- N- (3- methoxyphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK851400
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2- methoxyethyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]thiophene- 2- carboxamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1cccs1)/C#N

STK590695
Synonyms: 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 8- [(2Z)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/2\C(=O)Nc3c2cccc3)nc2c1c(O)nc(=O)n2C

STK851402
Synonyms: 4- {[(1E,2E)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]amino}- 5- phenyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccco1)/C=N/n1c(=S)[nH]nc1c1ccccc1

STK590701
Synonyms: 9- methoxy- 6- [2- (2- methylphenoxy)ethyl]- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1C

STK590702
Synonyms:
Smiles: O=C(COc1cccc2c1nsn2)NCc1ccccc1

STK851403
Synonyms: 1- benzyl- 9- methyl- 4- oxo- N- (prop- 2- en- 1- yl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: C=CCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK590706
Synonyms: (4Z)- N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- (hydroxyimino)- 3,6,6- trimethyl- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)/N=c\1/sc2c([nH]1)cccc2

STK590708
Synonyms: N- [(2E)- 6- fluoro- 1,3- benzothiazol- 2(3H)- ylidene]- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Fc1ccc2c(c1)s/c(=N/C(=O)c1n[nH]c(c1)c1cc(C)ccc1O)/[nH]2

STK851404
Synonyms: 2- (4- chlorophenyl)- 5- propylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCc1cc(O)n2c(n1)cc(n2)c1ccc(cc1)Cl

STK590714
Synonyms: (4Z)- 4- (hydroxyimino)- N- [3- (1H- imidazol- 1- yl)propyl]- 3,6,6- trimethyl- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O/N=C\1/CC(C)(C)Cc2c1c(C)c(o2)C(=O)NCCCn1cncc1

STK851406
Synonyms: 2- [4- (3,4- dimethoxyphenyl)- 3- methyl- 1,2- oxazol- 5- yl]- 5- ethoxyphenol
Smiles: CCOc1ccc(c(c1)O)c1onc(c1c1ccc(c(c1)OC)OC)C

STK590718
Synonyms: 3- (4- chlorophenyl)- 5- methyl- N- [4- (propan- 2- yl)phenyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2Nc1ccc(cc1)C(C)C

STK851408
Synonyms: 5- [(4- fluorobenzyl)oxy]- 2- (5- phenylpyrimidin- 4- yl)phenol
Smiles: Fc1ccc(cc1)COc1ccc(c(c1)O)c1ncncc1c1ccccc1

STK590720
Synonyms: 5- [(4- chlorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)Cl

STK590722
Synonyms: 2- {[(4- methylphenyl)sulfonyl]methyl}quinazolin- 4- ol
Smiles: Cc1ccc(cc1)S(=O)(=O)Cc1nc(O)c2c(n1)cccc2

STK590723
Synonyms: N- (6- ethylthieno[2,3- d]pyrimidin- 4- yl)- L- tryptophan
Smiles: CCc1sc2c(c1)c(ncn2)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

STK590729
Synonyms: 8- {[2- (diethylamino)ethyl]amino}- 6- hydroxy- 3- methyl- 7- (propan- 2- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCN(CCNc1nc2c(n1C(C)C)c(O)nc(=O)n2C)CC

STK590730
Synonyms: 4- chloro- N'- {3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1)Cl)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK590733
Synonyms: 2- (3- hydroxy- 5- methyl- 4H- pyrazol- 4- yl)- N'- [(E)- (2- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccccc1[N+](=O)[O-]

STK590734
Synonyms: 7- chloro- 4- hydroxy- 8- methylquinoline- 3- carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)ccc(c2C)Cl

STK590737
Synonyms: 2- amino- N- (propan- 2- yl)- 1,3- benzothiazole- 6- sulfonamide
Smiles: CC(NS(=O)(=O)c1ccc2c(c1)sc(n2)N)C

STK590742
Synonyms: (2E)- N- [(2E)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- phenylprop- 2- enamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N\C(=O)/C=C/c2ccccc2)/s1

STK851415
Synonyms: 6- chloro- N- [(2E)- 6- fluoro- 1,3- benzothiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)/N=c/1\[nH]c2c(s1)cc(cc2)F

STK590747
Synonyms: (6Z)- 6- [2- (2- fluorophenyl)hydrazinylidene]- 6- (pyridin- 2- yl)hexanoicacid
Smiles: OC(=O)CCCC/C(=N/Nc1ccccc1F)/c1ccccn1

STK590750
Synonyms: (3S)- N- (3- methoxyphenyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK851417
Synonyms: 4- (3,4- dichlorophenyl)- 3- (2- hydroxyphenyl)- 5- (2- phenylethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: O=C1c2n[nH]c(c2C(N1CCc1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1O

STK590752
Synonyms: (3R)- N- (2- methoxyethyl)- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: COCCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK590754
Synonyms: 5- tert- butyl- N- (3- chlorophenyl)- 2- methyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1cccc(c1)Nc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C

STK590758
Synonyms: 7'- [(2,2- dimethyl- 4,6- dioxo- 1,3- dioxan- 5- ylidene)methyl]- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1OC(C)(C)OC(=O)C1=Cc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK590759
Synonyms: N- (2- chloro- 6- fluorobenzyl)- 2- (7,8- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCc1c(F)cccc1Cl

STK590762
Synonyms: 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(2,5- dimethylbenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1cc(C)ccc1C

STK590763
Synonyms: (5Z)- 5- (furan- 2- ylmethylidene)- 3- {1- oxo- 1- [2- (pyridin- 3- yl)piperidin- 1- yl]propan- 2- yl}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccco2)/C(=O)N1C(C(=O)N1CCCCC1c1cccnc1)C

STK851420
Synonyms: (5Z)- 3- (4- chlorophenyl)- 6- hydroxy- 5- [(4- oxo- 4H- chromen- 3- yl)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/c2coc3c(c2=O)cccc3)/C1=O)O

STK590767
Synonyms: 1- (4- tert- butylphenyl)- 5,7- dichloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK590770
Synonyms: 2- (benzylamino)- 6- chloro- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1Cl)NCc1ccccc1

STK590771
Synonyms: ethyl4- [2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK851423
Synonyms: (2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 6- ethoxy- 1- benzofuran- 3(2H)- one
Smiles: CCOc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

STK590772
Synonyms: 5- benzyl- N- [(2Z)- 6- chloro- 1,3- benzoxazol- 2(3H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Clc1ccc2c(c1)o/c(=N\C1=NCN(CN1)Cc1ccccc1)/[nH]2

STK590775
Synonyms: 2- chloro- 4- (5- {(E)- [1- (4- fluorobenzyl)- 2- hydroxy- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Fc1ccc(cc1)CN1C(=N/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)O

STK590776
Synonyms: 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccn1

STK590781
Synonyms: N- [1- (4- propyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 3- yl)ethyl]benzenesulfonamide
Smiles: CCCn1c(n[nH]c1=S)C(NS(=O)(=O)c1ccccc1)C

STK851425
Synonyms: 3- (2- hydroxyphenyl)- 4- (4- hydroxyphenyl)- 5- (pyridin- 4- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Oc1ccc(cc1)C1N(Cc2ccncc2)C(=O)c2c1c([nH]n2)c1ccccc1O

STK801766
Synonyms: 5- ethoxy- 2- methyl- 2,3- dihydro- 1- benzofuran- 6- carbaldehyde
Smiles: CCOc1cc2CC(Oc2cc1C=O)C

STK590782
Synonyms: 1- (1- {6- [(4- fluorophenyl)amino]pyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: Fc1ccc(cc1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C

STK590788
Synonyms: 3- (4- methoxyphenyl)- 7- [(4- nitrobenzyl)oxy]- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCc1ccc(cc1)[N+](=O)[O-]

STK851426
Synonyms: 1- (2- fluorophenyl)- 2- (2- hydroxyethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK590794
Synonyms: 1- [(4- ethylpiperazin- 1- yl)methyl]- 3H- benzo[f]chromen- 3- one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1c1ccccc1cc2

STK851428
Synonyms: 2- (benzylsulfanyl)- 5- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Oc1cc(nc2n1nc(n2)SCc1ccccc1)c1ccccc1

STK590796
Synonyms: 6- chloro- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- (4- fluorobenzyl)- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Fc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C)C1CCS(=O)(=O)C1

STK590797
Synonyms: 1- (4- bromophenyl)- 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Br)c(=O)c1c(o2)c(C)cc(c1)C

STK590799
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1nonc1c1ccc(c(c1)OC)OC

STK590803
Synonyms: 5- hydroxy- 2- (morpholin- 4- ium- 4- ylacetyl)phenolate
Smiles: Oc1ccc(c(c1)[O-])C(=O)C[NH+]1CCOCC1

STK590807
Synonyms: 8- (3,5- dimethylphenyl)- 4- hydroxy- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Cc1cc(C)cc(c1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK590813
Synonyms: 2- (methylsulfanyl)- 3- (propan- 2- yl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CSc1nc2oc3ccccc3c(=O)c2c(=O)n1C(C)C

STK851432
Synonyms: 2- oxo- 7- phenyl- 1,3- benzoxathiol- 5- yl(2- methoxyphenoxy)acetate
Smiles: COc1ccccc1OCC(=O)Oc1cc2sc(=O)oc2c(c1)c1ccccc1

STK590818
Synonyms: 9- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)ncn3)CCC1

STK590820
Synonyms: 6- hydroxy- 3- methyl- 7- pentyl- 8- (piperazin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCNCC1

STK590822
Synonyms: 1- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 2- (2- methoxyethyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)c(C)cc(c1)C

STK851434
Synonyms: 5- (2- hydroxyethyl)- 3- (2- hydroxyphenyl)- 4- (4- methoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)OC)c([nH]n2)c1ccccc1O

STK590826
Synonyms: tert- butyl(3S)- 3- ({(2S)- 1- [(furan- 2- ylmethyl)amino]- 3- methyl- 1- oxobutan- 2- yl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C([C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)N[C@H](C(=O)NCc1ccco1)C(C)C

STK851435
Synonyms: 3- (3- hydroxypropyl)- 1,7- dimethyl- 8- (4- methylphenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)C)C

STK590834
Synonyms: 1- amino- 5- (morpholin- 4- yl)- 8- (propan- 2- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carbonitrile
Smiles: N#Cc1sc2c(c1N)c1CC(OCc1c(n2)N1CCOCC1)C(C)C

STK590839
Synonyms: N- [(2Z)- 1,3- benzoxazol- 2(3H)- ylidene]- 5- [3- (morpholin- 4- yl)propyl]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: O1CCN(CC1)CCCN1CNC(=NC1)/N=c/1\oc2c([nH]1)cccc2

STK590841
Synonyms: N- (5- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 3- methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK590844
Synonyms: 1- (6- chloro- 2- hydroxy- 4- phenylquinolin- 3- yl)piperidine- 3- carboxylicacid
Smiles: OC(=O)C1CCCN(C1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STK851438
Synonyms: 3- (2- ethoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- ylmorpholine- 4- carboxylate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N1CCOCC1

STK590853
Synonyms: 2- methyl- 8- (4- methylpiperidin- 1- yl)- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: CC1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK590856
Synonyms: methyl2- ([1,2,4]triazolo[4,3- a]quinoxalin- 4- yloxy)benzoate
Smiles: COC(=O)c1ccccc1Oc1nc2ccccc2n2c1nnc2

STK590859
Synonyms: 3- [(3S,3'S,3a'R,6a'S)- 5- chloro- 2,4',6'- trioxo- 5'- (tetrahydrofuran- 2- ylmethyl)- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cc(Cl)cc1

STK590869
Synonyms: N- [2- (4- tert- butylphenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 3,4- dimethoxybenzamide
Smiles: COc1ccc(cc1OC)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C

STK590876
Synonyms: 1- benzyl- 2- [(2,6- dimethylmorpholin- 4- yl)carbonyl]- 9- methylpyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CC1OC(C)CN(C1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK851442
Synonyms: 5- amino- 1- (3- chloro- 4- methylphenyl)- 4- (4- hydroxyquinazolin- 2- yl)- 1,2- dihydro- 3H- pyrrol- 3- one
Smiles: O=C1CN(C(=C1c1nc(O)c2c(n1)cccc2)N)c1ccc(c(c1)Cl)C

STK590883
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1cccc(c1)OC)C

STK590897
Synonyms: 3- {3- [bis(2- hydroxyethyl)amino]propyl}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: OCCN(CCO)CCCn1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK590898
Synonyms: 6- ethyl- 4- [(4- methylpiperazin- 1- ium- 1- yl)methyl]- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)C

STK590899
Synonyms: N- [(4- methoxyphenyl)carbamoyl]- L- alanine
Smiles: COc1ccc(cc1)NC(=O)N[C@H](C(=O)O)C

STK851448
Synonyms: 5- methyl- N- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1cc(cc(c1OC)OC)Nc1cc(C)nc2n1ncn2

STK590905
Synonyms: (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)(3- fluorophenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1cccc(c1)F

STK590907
Synonyms: 3- chloro- N- (5- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK590908
Synonyms: 3- (3,4- dimethoxyphenyl)- 7- hydroxy- 8- [(4- methylpiperazin- 1- yl)methyl]- 4H- chromen- 4- one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN1CCN(CC1)C)O

STK590909
Synonyms: 5- [(4- fluorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 3- (trifluoromethyl)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)F

STK851449
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: COc1cc(CCN2C(=N)SC3C2CS(=O)(=O)C3)ccc1OC

STK590913
Synonyms: (5Z)- 5- (4- chlorobenzylidene)- 3- {2- oxo- 2- [2- (pyridin- 3- yl)piperidin- 1- yl]ethyl}- 1,3- thiazolidine- 2,4- dione
Smiles: Clc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)CC(=O)N1CCCCC1c1cccnc1

STK590919
Synonyms: 1- {[4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]methyl}- 3H- benzo[f]chromen- 3- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)ccc1c2cccc1

STK851450
Synonyms: N- (furan- 2- ylmethyl)- 2,2- dimethyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: O=C(C(C)(C)C)N(Cc1cc2ccccc2[nH]c1=O)Cc1ccco1

STK590922
Synonyms: 4- {[benzyl(methyl)ammonio]methyl}- 8- methyl- 2- oxo- 2H- chromen- 7- olate
Smiles: C[NH+](Cc1cc(=O)oc2c1ccc(c2C)[O-])Cc1ccccc1

STK590923
Synonyms: N- ({3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)- D- glutamicacid
Smiles: OC(=O)CC[C@H](C(=O)O)NC(=O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK590925
Synonyms: methylN- {[3- (acetylamino)phenyl]carbamoyl}- L- alaninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cccc(c1)NC(=O)C)C

STK590929
Synonyms: 5- hydrazinyl- 2,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1nc(n2)C)C(C)CCC3

STK590930
Synonyms: 5- (2- chlorophenyl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1sccc1C

STK590933
Synonyms: 3- [3- (1H- imidazol- 1- yl)propyl]- 3,4,7,8,9,10- hexahydro- 2H,6H- benzo[3,4]chromeno[8,7- e][1,3]oxazin- 6- one
Smiles: O=c1oc2c3CN(CCCn4cncc4)COc3ccc2c2c1CCCC2

STK590940
Synonyms: 5- (methoxymethyl)- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: COCc1cc(O)n2c(n1)nc(n2)C(F)(F)F

STK851454
Synonyms: 8- (3,4- dimethoxyphenyl)- 3- (4- methoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(c(c1)OC)OC

STK590948
Synonyms: 2- [(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methyl]- 7- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1cc(=O)n2c(n1)ccc(c2)C

STK590951
Synonyms: 6- (methoxymethyl)- 2- (4- methylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: COCc1cc(O)nc(n1)N1CCN(CC1)C

STK590955
Synonyms: N- (2- fluorophenyl)- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccccc1F)CCn1nnc2c(c1=O)cccc2

STK590961
Synonyms: (2,6- dichloropyridin- 4- yl)(7- methylidene- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)methanone
Smiles: Clc1nc(Cl)cc(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

STK590964
Synonyms: 5- ({4- [(2- fluorobenzyl)oxy]- 3- methoxybenzyl}amino)- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: COc1cc(CNc2ccc(c(c2)C(=O)[O-])[NH+]2CCOCC2)ccc1OCc1ccccc1F

STK851457
Synonyms: 3- (2- ethoxyphenoxy)- 7- hydroxy- 4H- chromen- 4- one
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2)O

STK590968
Synonyms: 4- (4- chloro- 3- methylphenoxy)- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]butanamide
Smiles: O=C(NCCc1nnc2n1cccc2)CCCOc1ccc(c(c1)C)Cl

STK590970
Synonyms: N- [(3,4- dimethoxybenzyl)carbamoyl]- L- leucine
Smiles: COc1cc(CNC(=O)N[C@H](C(=O)O)CC(C)C)ccc1OC

STK590972
Synonyms: 4- hydroxy- 2- (piperidin- 1- yl)pyrimidine- 5- carbonitrile
Smiles: N#Cc1cnc(nc1O)N1CCCCC1

STK851458
Synonyms: 1- benzyl- N- (2- chlorobenzyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Clc1ccccc1CNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK590975
Synonyms: 2- (3- bromo- 4- fluorophenyl)- 5- (3- chlorophenyl)- 4- phenyl- 1H- imidazole
Smiles: Clc1cccc(c1)c1[nH]c(nc1c1ccccc1)c1ccc(c(c1)Br)F

STK590976
Synonyms: 2- butyl- 4- hydroxy- N- (pyrimidin- 2- yl)- 2H- 1,2- benzothiazine- 3- carboxamide1,1- dioxide
Smiles: CCCCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)Nc1ncccn1

STK590980
Synonyms: 4- {[4- (diphenylmethyl)piperazin- 1- yl]methyl}- 6- (propan- 2- yl)- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(o1)ccc(c2)C(C)C

STK851461
Synonyms: 4- {[(4Z)- 2- (2- chlorophenyl)quinazolin- 4(3H)- ylidene]amino}phenol
Smiles: Oc1ccc(cc1)/N=c/1\[nH]c(nc2c1cccc2)c1ccccc1Cl

STK590993
Synonyms: (4E)- 5- (3,4- dimethoxyphenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nccs1

STK590995
Synonyms: 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)NCc1ccco1

STK590998
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- nitrobenzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCS(=O)(=O)C1

STK851463
Synonyms: (2Z)- 2- [(5- methylfuran- 2- yl)methylidene]- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl3- nitrobenzoate
Smiles: Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK591008
Synonyms: N'- (8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 4- yl)- N,N- diethylpropane- 1,3- diamine
Smiles: CCN(CCCNc1ncnc2c1oc1c2cc2c(n1)CC(OC2)(C)C)CC

STK591012
Synonyms: ethyl2,4- bis(3,5- dimethyl- 1H- pyrazol- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1n1nc(cc1C)C)n1nc(cc1C)C

STK591013
Synonyms: 7- (benzylsulfanyl)- 12- ethyl- 12- methyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(s2)n2c(SCc3ccccc3)nnc2n2c1ncn2

STK851465
Synonyms: propyl4- {[7- (2- amino- 2- oxoethoxy)- 4- oxo- 4H- chromen- 3- yl]oxy}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCC(=O)N

STK591016
Synonyms: 2- (7- hydroxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- [2- (4- sulfamoylphenyl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)NCCc1ccc(cc1)S(=O)(=O)N

STK591017
Synonyms: 3,4,5- trimethoxy- N- [4- (4- methoxyphenyl)- 1,2,5- oxadiazol- 3- yl]benzamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)c1cc(OC)c(c(c1)OC)OC

STK591018
Synonyms: 2- (bicyclo[2.2.1]hept- 2- yl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CC1CC2CC1CC2

STK591019
Synonyms: (5Z)- 5- [(cyclohexylamino)methylidene]- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C\NC2CCCCC2)/C(=N1)O

STK591021
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (2- chlorophenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccccc1Cl)O

STK851467
Synonyms: 5- (3,4- dimethoxyphenyl)- 4- hydroxy- 2- (methylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(c(c1)OC)OC

STK591026
Synonyms: 4- [(4- benzylpiperazin- 1- ium- 1- yl)methyl]- 6- ethyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)Cc1ccccc1

STK851469
Synonyms: 1- benzyl- 7- methyl- N- (naphthalen- 1- yl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)Nc1cccc2c1cccc2)Cc1ccccc1

STK851470
Synonyms: 2- chloro- N- [(2E)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCc1n[nH]/c(=N\C(=O)c2ccccc2Cl)/s1

STK591028
Synonyms: 5- fluoro- N- (quinolin- 3- yl)- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1cnc2c(c1)cccc2

STK591029
Synonyms: 3- (4- chlorophenyl)- 2,5- dimethyl- N- (pyridin- 4- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2Nc1ccncc1

STK591031
Synonyms: 3- [(2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)acetyl]- N,N- dimethylbenzenesulfonamide
Smiles: O=C(c1cccc(c1)S(=O)(=O)N(C)C)/C=C/1\NCCc2c1cc1OCOc1c2

STK591037
Synonyms: (4Z)- 2- (3- bromophenyl)- 4- (furan- 2- ylmethylidene)- 4H- imidazol- 5- ol
Smiles: Brc1cccc(c1)C1=N/C(=C\c2ccco2)/C(=N1)O

STK851471
Synonyms: 2- methyl- 8- (2- methyl- 1H- imidazol- 1- yl)- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2n2ccnc2C)CCC1

STK851472
Synonyms: N- {3- [(furan- 2- ylmethyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2

STK591043
Synonyms: 2- ethyl- N- (2- hydroxypyrimido[1,2- a]benzimidazol- 4- yl)hexanamide
Smiles: CCCCC(C(=O)Nc1cc(O)nc2n1c1ccccc1n2)CC

STK591047
Synonyms: N- (3- chloro- 4- fluorophenyl)- 3- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CCn1cnc2c(c1=O)cccc2

STK851474
Synonyms: (4Z)- 4- {[(4- chloro- 2,5- dimethoxyphenyl)amino]methylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1cc(Cl)c(cc1N/C=C\1/C(=NN(C1=O)c1ccccc1)C)OC

STK591048
Synonyms: 7- (4- benzylpiperidin- 1- yl)- 3- (4- chlorophenyl)- 5- methylpyrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)c1cnn2c1nc(C)cc2N1CCC(CC1)Cc1ccccc1

STK591051
Synonyms:
Smiles: CCC([C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK591053
Synonyms: 7- (3- chlorophenyl)- 2,7- dihydro- 3H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thione
Smiles: Clc1cccc(c1)n1ncc2c1ncn1c2n[nH]c1=S

STK591054
Synonyms: 4- ({3- [(5E)- 5- (4- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O

STK591057
Synonyms: (2Z,5Z)- 5- {[2,5- dimethyl- 1- (pyridin- 4- yl)- 1H- pyrrol- 3- yl]methylidene}- 2- [(4- ethylphenyl)imino]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: CCc1ccc(cc1)/N=C/1\S/C(=C\c2cc(n(c2C)c2ccncc2)C)/C(=N1)O

STK591059
Synonyms: 2- (ethylsulfanyl)- 9- (thiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccs1

STK591061
Synonyms: (3R,3'S,5'R)- 5- bromo- N- (2,5- dimethoxyphenyl)- 5'- [2- (methylsulfanyl)ethyl]- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: CSCC[C@H]1C[C@@H]([C@]2(N1)C(=O)Nc1c2cc(Br)cc1)C(=O)Nc1cc(OC)ccc1OC

STK591062
Synonyms: N- ({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK591064
Synonyms: (2E)- 3- (5- bromofuran- 2- yl)- N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}prop- 2- enamide
Smiles: O=C(/C=C/c1ccc(o1)Br)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK591066
Synonyms: (3R)- N- [3- (morpholin- 4- yl)propyl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NCCCN1CCOCC1

STK591068
Synonyms: 2- ({[(5E)- 5- (4- chlorobenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 5- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=O)S/C(=C/c2ccc(cc2)Cl)/C1=O

STK591069
Synonyms: propyl4- [(5- {2- hydroxy- 4- [(2- methylprop- 2- en- 1- yl)oxy]phenyl}- 3- methyl- 1H- pyrazol- 4- yl)oxy]benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCC(=C)C

STK591077
Synonyms: 4- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK591079
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- [5- (thiophen- 2- yl)pyrazolidin- 3- ylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)N1C(=O)NC(=O)/C(=C\2/NNC(C2)c2cccs2)/C1=O

STK591088
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- ethoxy- N- (4- propoxybenzyl)benzamide
Smiles: CCCOc1ccc(cc1)CN(C(=O)c1ccccc1OCC)C1CCS(=O)(=O)C1

STK591089
Synonyms: 6,7- dimethoxy- N- (3- methoxyphenyl)- 3,4- dihydroisoquinoline- 2(1H)- carbothioamide
Smiles: COc1cccc(c1)NC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK591095
Synonyms: N- (4- bromophenyl)- 5- tert- butyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Brc1ccc(cc1)Nc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK591100
Synonyms: 1,3,7,7- tetramethyl- 10- (4- oxo- 4H- chromen- 3- yl)- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: O=c1n(C)c(=O)c2c(n1C)c1C(OCC(n1c2c1ccccc1)(C)C)c1coc2c(c1=O)cccc2

STK591102
Synonyms: ethyl(2Z)- 4- methyl- 2- ({4- methyl- 5- [(2- methylphenyl)carbamoyl]pyrimidin- 2- yl}imino)- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1s/c(=N\c2ncc(c(n2)C)C(=O)Nc2ccccc2C)/[nH]c1C

STK591109
Synonyms: N- [(2- hydroxyquinolin- 4- yl)methyl]- N- methyl- 4- nitrobenzamide
Smiles: Oc1cc(CN(C(=O)c2ccc(cc2)[N+](=O)[O-])C)c2c(n1)cccc2

STK591112
Synonyms: (5Z)- 4- hydroxy- 5- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methylidene]- 1,3- thiazole- 2(5H)- thione
Smiles: S=C1N=C(/C(=C/c2c(nc3n2ccs3)c2ccccc2)/S1)O

STK591113
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- [3- (ethylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 1H- pyrazole- 3- carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(Cl)ccc2O)sc2c1CCCC2

STK591119
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- [2- (phenylcarbamoyl)- 1- benzofuran- 3- yl]- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1)O

STK591122
Synonyms: methylN- [(2- chlorobenzyl)carbamoyl]- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)NCc1ccccc1Cl)CC(C)C

STK591124
Synonyms: 7- chloro- 1- (4- hydroxy- 3- methoxyphenyl)- 6- methyl- 2- propyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591125
Synonyms: 5- [(4- fluorophenyl)amino]- 7- hydroxy[1,3]thiazolo[4,5- b]pyridin- 2(3H)- one
Smiles: Oc1cc(Nc2ccc(cc2)F)nc2c1sc(=O)[nH]2

STK591129
Synonyms: (3R,3'S,5'R)- 5'- (2- amino- 2- oxoethyl)- 7- chloro- N- (2,5- dimethoxyphenyl)- 5- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1Cl)CC(=O)N)OC

STK591133
Synonyms: (2E)- 2- [2- (isoquinolin- 1- yl)cyclohexylidene]hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/1\CCCCC1c1nccc2c1cccc2

STK591134
Synonyms: N- {(5Z)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}pyridine- 4- carboxamide
Smiles: S=C1S/C(=C\C=C\c2ccco2)/C(=O)N1NC(=O)c1ccncc1

STK591137
Synonyms: 4- (4- hydroxyphenyl)- 1- phenyl- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccccc1

STK851484
Synonyms: 3- (4- ethoxyphenyl)- 6- oxo- 8- (2,4,5- trimethoxyphenyl)- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)c(cc1OC)OC

STK591141
Synonyms: 5- methyl- 3- (2- phenylethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cn1c2ccccc2c2c1c(=O)n(CCc1ccccc1)cn2

STK591143
Synonyms: (5E)- 2- [4- (3- chlorophenyl)piperazin- 1- yl]- 5- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/S1

STK851485
Synonyms: 2,5- dimethyl- 3- (4- methylphenyl)- 7- (morpholin- 4- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2N1CCOCC1

STK591146
Synonyms: 8- chloro[1,2,4]triazino[4,5- a]indol- 1- ol
Smiles: Clc1ccc2c(c1)cc1n2cnnc1O

STK591147
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- [(E)- 2- phenylethenyl]- 4,5- dihydro- 1,2- oxazole- 5- carboxamide
Smiles: O=C(C1ON=C(C1)/C=C/c1ccccc1)Nc1ccc2c(c1)OCCO2

STK591150
Synonyms: 4- imino- 2- [3- methoxy- 4- (2- methylpropoxy)phenyl]- 6,7,11,12- tetrahydro- 4H,10H- [1,4]dioxepino[2,3- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCCCOc2c1)c1ccc(c(c1)OC)OCC(C)C

STK591155
Synonyms: 3,6- diamino- 5- cyano- N- [1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)NC(C12CC3CC(C2)CC(C1)C3)C

STK591159
Synonyms: N- (2,6- dimethylphenyl)- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1c(C)cccc1C

STK591160
Synonyms: 2- benzyl- 1- (3- ethoxy- 4- hydroxyphenyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK591164
Synonyms: 6- (4- chlorobenzyl)- 2,5- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)Cc1c(C)nc2n(c1O)nc(c2c1ccccc1)C

STK591166
Synonyms: (2S)- {[(2R)- 2- (2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- (1H- indol- 3- yl)propanoyl]amino}(phenyl)ethanoicacid
Smiles: OC(=O)[C@H](c1ccccc1)NC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2

STK851489
Synonyms: 1- benzyl- N,N- diethyl- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)CC

STK591169
Synonyms: N- [3- (2- fluorophenyl)- 2',6'- dihydroxy- 4'- oxo- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl]acetamide
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1F)NC(=O)C

STK851490
Synonyms: 3- (2,4- dimethoxyphenyl)- 2- oxo- 2H- chromen- 7- ylthiophene- 2- carboxylate
Smiles: COc1cc(OC)ccc1c1cc2ccc(cc2oc1=O)OC(=O)c1cccs1

STK851491
Synonyms: N- benzyl- 1- (3- methoxypropyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccccc1

STK591173
Synonyms: 11- (4- methoxyphenyl)- 3,4,10,11- tetrahydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: COc1ccc(cc1)C1Nc2ccccc2N=C2C1=C(O)CCC2

STK591178
Synonyms: tert- butyl{(1S)- 1- [5- (ethylsulfonyl)- 1,3,4- oxadiazol- 2- yl]- 2- phenylethyl}carbamate
Smiles: CCS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

STK591182
Synonyms: biphenyl- 2- yl(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccccc1c1ccccc1

STK851492
Synonyms: 3- (2- hydroxyphenyl)- 5- [3- (propan- 2- yloxy)propyl]- 4- (3,4,5- trimethoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(cc(c1OC)OC)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1ccccc1O

STK851494
Synonyms: methyl4- [(3,4- dimethylphenyl)carbamoyl]- 6- hydroxy- 2- methyl- 4,5- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1ccc(c(c1)C)C)O

STK851495
Synonyms: 6,8- dimethyl- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C(C)C

STK591188
Synonyms: 5- (4- fluorobenzyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 4- (3- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Oc1cccc(c1)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK851497
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)ncc1c1ccc(c(c1)OC)OC

STK851499
Synonyms: 5- tert- butyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Oc1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK591200
Synonyms: methylN- {(E)- [2- hydroxy- 1- (4- methoxyphenyl)- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)OC)O

STK591206
Synonyms: 4- (2,5- dimethoxyphenyl)- 6- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: COc1ccc(c(c1)c1c(C#N)c(O)nc2c1c(C)nn2c1ccccc1)OC

STK851501
Synonyms: 2- {[(5Z)- 5- (acetylimino)- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: Cc1c(NC(=O)CSc2n[nH]/c(=N/C(=O)C)/s2)cccc1Cl

STK591208
Synonyms: 1,6- dibenzyl- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)Cc1ccccc1)Cc1ccccc1

STK591210
Synonyms: 3- [(3a'S,6a'R)- 5'- (2- methoxyethyl)- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2

STK851503
Synonyms: 2- [4- (2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK591213
Synonyms: (3R)- N- [(2S)- 1- (cyclohexylamino)- 1- oxopropan- 2- yl]- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C)NC1CCCCC1

STK591215
Synonyms: N- [4- (difluoromethoxy)phenyl]- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)F

STK591220
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NC12CC3CC(C2)CC(C1)C3

STK591223
Synonyms: 6- chloro- 4- {[4- (2- methoxyphenyl)piperazin- 1- yl]methyl}- 7- methyl- 2H- chromen- 2- one
Smiles: COc1ccccc1N1CCN(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)C

STK851504
Synonyms: (2- oxopyridin- 1(2H)- yl)acetonitrile
Smiles: N#CCn1ccccc1=O

STK591231
Synonyms: (2E)- 3- (3- fluorophenyl)- 1- (5- methylidene- 7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 6(5H)- yl)prop- 2- en- 1- one
Smiles: Fc1cccc(c1)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCO1

STK591234
Synonyms: N'- (5,6- dimethylfuro[2,3- d]pyrimidin- 4- yl)- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1c(C)c(o2)C)CC

STK591239
Synonyms: 3- [3- (pyridin- 4- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(=S)[nH]nc1c1ccncc1

STK591243
Synonyms: 4- chloro- N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]benzamide
Smiles: COc1cc(ccc1OC)c1nonc1NC(=O)c1ccc(cc1)Cl

STK591244
Synonyms: {[(2Z)- 2- (3- chlorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)Cl)/C2=O

STK591245
Synonyms: N- (2,6- dimethylphenyl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(C)cccc1C)O

STK591246
Synonyms: tert- butyl(3S)- 3- ({(2S)- 1- [(4- methoxybenzyl)amino]- 1- oxopropan- 2- yl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK591248
Synonyms: 6- [2- (4- chlorophenoxy)ethyl]- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(cc1)Cl

STK591249
Synonyms: N- [3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanoyl]- L- alanine
Smiles: O=C(N[C@H](C(=O)O)C)CCn1nnc2c(c1=O)cccc2

STK591252
Synonyms: 2- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: Oc1c2CCCCc2nc2n1nc(c2)c1ccccc1

STK851505
Synonyms: N- [(2E)- 4- (4- ethoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]pyridine- 3- carboxamide
Smiles: CCOc1ccc(cc1)c1cs/c(=N/C(=O)c2cccnc2)/[nH]1

STK851506
Synonyms: 5- methoxy- 2- [4- (2- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(c(c1)O)c1[nH]nc(c1Oc1ccccc1OC)C

STK591254
Synonyms: (5Z)- 5- ({3- [2- methyl- 4- (2- methylpropoxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 3- propyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

STK851507
Synonyms: 8- (2,3- dimethoxyphenyl)- 3- (4- methoxyphenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(c1OC)OC

STK591255
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C

STK591257
Synonyms: 4- [(4- benzylpiperidinium- 1- yl)methyl]- 2- oxo- 7- phenyl- 2H- chromen- 6- olate
Smiles: O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCC(CC1)Cc1ccccc1)[O-]

STK591260
Synonyms: 5- tert- butyl- N- (3- chlorophenyl)- 3- (4- chlorophenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2Nc1cccc(c1)Cl)C(C)(C)C

STK591265
Synonyms: N- {[2- (4- fluorophenyl)ethyl]carbamoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)F

STK591270
Synonyms: 1- {N- [(5- chloro- 1- methyl- 1H- indol- 2- yl)carbonyl]- L- alanyl}piperidine- 4- carboxylicacid
Smiles: Clc1ccc2c(c1)cc(n2C)C(=O)N[C@H](C(=O)N1CCC(CC1)C(=O)O)C

STK591271
Synonyms: N'- (5,6- dimethyl- 7- phenyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- yl)- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1c(C)c(n2c1ccccc1)C)C

STK851510
Synonyms: N- (2,5- dimethoxyphenyl)- 4,7,7- trimethyl- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: COc1ccc(cc1NC(=O)C12CCC(C2(C)C)(C(=O)O1)C)OC

STK591277
Synonyms: (1S,2S)- N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccccc1O

STK851512
Synonyms: methyl{[(2Z)- 2- (furan- 2- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O

STK591278
Synonyms: 2- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]hexahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1C2CCCCC2C(=O)N1c1cc(O)nc2n1nc(n2)COc1ccccc1

STK591279
Synonyms: 8- ethoxy- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CCOc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK591281
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: O=C(c1[nH]nc2c1CCCC2)Nc1ccc2c(c1)OCCO2

STK591282
Synonyms: N- (2- methoxyphenyl)- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: COc1ccccc1NC(=O)c1[nH]nc2c1CCCC2

STK591283
Synonyms: 5- methoxy- 3- methyl- N- (pyridin- 2- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1ccccn1

STK591287
Synonyms: 1- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 7- chloro- 2- (3- hydroxypropyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1cc(Br)c(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591289
Synonyms: N- (benzylcarbamoyl)- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NCc1ccccc1)C

STK591292
Synonyms: 3'- tert- butyl- 6'- hydroxy- 4- methyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1C(C)(C)C)CN(C)c1c(C2)c2ccccc2cc1

STK591306
Synonyms: [4- (2,3- dimethylphenyl)piperazin- 1- yl](5- fluoro- 1H- indol- 2- yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCN(CC1)c1cccc(c1C)C

STK591308
Synonyms: (E)- 1- (4- chlorophenyl)- N- (9,10,11,12- tetrahydro- 8H- cyclohepta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- ylmethoxy)methanimine
Smiles: Clc1ccc(cc1)/C=N/OCc1nc2n(n1)cnc1c2c2CCCCCc2s1

STK851514
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2- methoxyethyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]benzamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1)/C#N

STK591313
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- (4- methoxyphenyl)pyrimidin- 4- ol
Smiles: COc1ccc(cc1)c1cc(O)nc(n1)N1CCN(CC1)Cc1ccccc1

STK591316
Synonyms: 8- ethoxy- 2,2- dimethyl- 5- propyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3OCC

STK591320
Synonyms: N- [3- (3,4- dichlorophenyl)- 4- oxo- 4H- chromen- 2- yl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1oc2ccccc2c(=O)c1c1ccc(c(c1)Cl)Cl

STK591322
Synonyms: [(5S)- 5- [(4- acetylphenyl)carbamoyl]- 3- (3,4- dimethoxyphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: COc1ccc(cc1OC)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1)C(=O)C

STK851516
Synonyms: 4- acetyl- 3- hydroxy- 5- (4- methylphenyl)- 1- (pyridin- 3- ylmethyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(=C1C(=O)C)O

STK591325
Synonyms: 4- ({[(5Z)- 5- (2- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)Nc1ccc(c(c1)O)C(=O)O

STK591328
Synonyms: 2- (4- methoxybenzyl)- 9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCCN1CCc2c(C1)sc1c2c2nc(nn2cn1)Cc1ccc(cc1)OC

STK591329
Synonyms: 1- amino- 2- [(2- hydroxyethyl)(methyl)amino]- 4- (propan- 2- ylamino)anthracene- 9,10- dione
Smiles: OCCN(c1cc(NC(C)C)c2c(c1N)C(=O)c1c(C2=O)cccc1)C

STK851518
Synonyms: 2- [(3,4- dimethoxybenzyl)amino]- 5- propyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)NCc1ccc(c(c1)OC)OC

STK591334
Synonyms: 1- benzyl- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 7- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(c(c1)C(=O)NC1CCS(=O)(=O)C1)Cc1ccccc1

STK591335
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 7- (4- methoxyphenyl)- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccc(cc1)n1c(C)c(c2c1ncnc2NCCCn1cncc1)C

STK591338
Synonyms: N~2~- {[1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- oxopyrrolidin- 3- yl]carbonyl}- N- (furan- 2- ylmethyl)- L- valinamide
Smiles: CC([C@@H](C(=O)NCc1ccco1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C

STK591339
Synonyms: N- [(1- benzylpiperidin- 4- yl)carbamoyl]- L- valine
Smiles: CC([C@@H](C(=O)O)NC(=O)NC1CCN(CC1)Cc1ccccc1)C

STK591341
Synonyms: 3- (1,3- benzodioxol- 5- yl)- N- [(1S)- 3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]propanamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)CCc1ccc2c(c1)OCO2

STK591343
Synonyms: 9- methoxy- 6- [4- (pentyloxy)benzyl]- 6H- indolo[2,3- b]quinoxaline
Smiles: CCCCCOc1ccc(cc1)Cn1c2ccc(cc2c2c1nc1ccccc1n2)OC

STK851522
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 6,8- dimethyl- N- (4- methylbenzyl)- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C)C1CCS(=O)(=O)C1

STK591348
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK591351
Synonyms: 8- ethoxy- 4- [4- (2- ethoxyphenyl)piperazin- 1- yl]- 5H- pyrimido[5,4- b]indole
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccccc1OCC

STK591352
Synonyms: methyl2- {[(6- chloro- 7- methyl- 4- oxo- 4H- chromen- 2- yl)carbonyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)sc2c1CCCC2

STK851526
Synonyms: N- [(2E)- 6- ethyl- 4- methylquinazolin- 2(1H)- ylidene]- 4- methylpyrimidin- 2- amine
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/c1nccc(n1)C)/[nH]2

STK591357
Synonyms: N- (2,3- dimethylphenyl)- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1c(C)cccc1N(S(=O)(=O)c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C

STK591358
Synonyms: (E)- {1- [4- (dimethylammonio)phenyl]- 2- (4- fluorophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)C

STK851529
Synonyms: 2- (4- methylphenyl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- ol
Smiles: Cc1ccc(cc1)c1nn2c(c1)nc1c(c2O)CCCC1

STK851530
Synonyms: 3- methyl- N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)butanamide
Smiles: CC(CC(=O)Nc1nonc1c1ccccc1)C

STK851532
Synonyms: 2,8,10- trimethyl- N- (2- phenylethyl)pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Cc1cc(NCCc2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK591364
Synonyms: 6- benzyl- 1- (2,3- dimethylphenyl)- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Oc1nc(=O)c2c(n1c1cccc(c1C)C)NCN(C2)Cc1ccccc1

STK591365
Synonyms: 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1cccc(c1)C(F)(F)F

STK591368
Synonyms: 1- {5- methyl- 1- [2- methyl- 6- (morpholin- 4- yl)pyrimidin- 4- yl]- 1H- pyrazol- 4- yl}ethanone
Smiles: Cc1nc(cc(n1)n1ncc(c1C)C(=O)C)N1CCOCC1

STK591371
Synonyms: N- [4- (difluoromethoxy)phenyl]- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: FC(Oc1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(c(c1O)C)C)F

STK851534
Synonyms: 3- (2- hydroxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4- [4- (propan- 2- yl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)C(C)C)c([nH]n2)c1ccccc1O

STK591381
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (2- hydroxyethyl)- 4- (3- phenoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)Oc1ccccc1)c([nH]n2)c1cc(Cl)c(cc1O)C

STK591388
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- ({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)C

STK591390
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 2- (3,4- dimethylphenoxy)ethanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)COc1ccc(c(c1)C)C

STK591399
Synonyms: 9- (3- chlorophenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1)Cl

STK591400
Synonyms: N- {2- [(3- fluoro- 4- methylphenyl)carbonyl]- 1- benzofuran- 3- yl}- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)F)C

STK591403
Synonyms: 5- [(4- chlorobenzyl)oxy]- 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)Cl

STK591408
Synonyms: 1- {[(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}piperidine- 2- carboxylicacid
Smiles: OC(=O)C1CCCCN1C(=O)CN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK591413
Synonyms: 5- methyl- 2- [(3- nitrobenzyl)amino][1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)nc(n2)NCc1cccc(c1)[N+](=O)[O-]

STK591417
Synonyms: 4- (4- nitrophenyl)- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: NC1=NC(c2ccc(cc2)[N+](=O)[O-])n2c(=N1)[nH]c1c2cccc1

STK591418
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- thiophen- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccs1

STK591419
Synonyms: N'- [(1Z)- 1- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/C

STK591425
Synonyms: 5- {[(3Z)- 1- ethyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 5- oxopentanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCCC(=O)O)/c2c1nc1cc(C)ccc1c2

STK591426
Synonyms: 3- (7- methyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)naphthalen- 2- ol
Smiles: Oc1cc2ccccc2cc1c1nn2c(n1)c1cnn(c1nc2)C

STK851537
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c([nH]n2)c1ccccc1O

STK591429
Synonyms: 5- (benzyloxy)- 2- [4- (4- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1

STK851538
Synonyms: 4- (4- hydroxy- 3- methoxyphenyl)- 3- (2- hydroxyphenyl)- 5- propyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1ccccc1O

STK851540
Synonyms: 8- (2- fluorophenyl)- 3- (4- fluorophenyl)- 6- oxo- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1F)c1ccc(cc1)F

STK591435
Synonyms: (3a'S,6a'R)- 3'- (1H- indol- 3- ylmethyl)- 5,7- dimethyl- 5'- phenyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Cc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccccc1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK591440
Synonyms: ethyl2- (4- chlorophenyl)- 4- hydroxy- 5- oxo- 1- (4- sulfamoylphenyl)- 2,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: CCOC(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)Cl)c1ccc(cc1)S(=O)(=O)N

STK591443
Synonyms: 8- ethoxy- 3- (4- fluorobenzyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1ccc(cc1)F

STK851543
Synonyms: 2- [4- (2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK591447
Synonyms: (2E)- 3- (5,11- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)prop- 2- enoicacid
Smiles: OC(=O)/C=C/c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2

STK591451
Synonyms: (5Z)- 5- [1- acetyl- 5- (4- methoxyphenyl)pyrazolidin- 3- ylidene]- 3- benzyl- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)C1C/C(=C/2\C(=NC(=O)N(C2=O)Cc2ccccc2)O)/NN1C(=O)C

STK591454
Synonyms: (5Z)- 5- [(6- chloro- 4- oxo- 4H- chromen- 3- yl)methylidene]- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CN1C(=O)/C(=C/c2coc3c(c2=O)cc(cc3)Cl)/SC1=S

STK591455
Synonyms: N- (2- bromophenyl)- 2,4- dihydroxyquinoline- 3- carboxamide
Smiles: O=C(c1c(O)nc2c(c1O)cccc2)Nc1ccccc1Br

STK591457
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- methyl- 3- (2- methyl- 1H- benzimidazol- 1- yl)propanamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)CCn1c(C)nc2c1cccc2

STK591460
Synonyms: 8- [4- (diphenylmethyl)piperazin- 1- yl]- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2N2CCN(CC2)C(c2ccccc2)c2ccccc2)CCC1

STK591461
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- (benzyloxy)phenol
Smiles: COc1ccc(cc1)c1c(nc(nc1C(F)(F)F)N)c1ccc(cc1O)OCc1ccccc1

STK591462
Synonyms: 3- [(4- nitrophenyl)amino]- 2- benzofuran- 1(3H)- one
Smiles: [O-][N+](=O)c1ccc(cc1)NC1OC(=O)c2c1cccc2

STK591465
Synonyms: 2- {(2E)- [(5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)methylidene]hydrazinylidene}- 2,3- dihydro- 1H- benzimidazole
Smiles: COc1ccc2c(c1)c(/C=N/N=c/1\[nH]c3c([nH]1)cccc3)c(n2C)C

STK591466
Synonyms: (2- ethyl- 4- hydroxy- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl)(morpholin- 4- yl)methanone
Smiles: CCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)N1CCOCC1

STK591467
Synonyms: 7- benzyl- 5,6- dimethyl- N- (1,3- thiazol- 2- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1n(Cc2ccccc2)c2c(c1C)c(ncn2)Nc1nccs1

STK591469
Synonyms: N- {[3- (1,3- benzoxazol- 2- yl)phenyl]carbamoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1cccc(c1)c1nc2c(o1)cccc2

STK591474
Synonyms: 2- [4- (trifluoromethoxy)phenyl]- 2,3- dihydro- 4H- 1,3- benzoxazin- 4- one
Smiles: O=C1NC(Oc2c1cccc2)c1ccc(cc1)OC(F)(F)F

STK851547
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O

STK591475
Synonyms: 8- {[4- chloro- 3- (trifluoromethyl)phenyl]sulfonyl}- 7- methyl- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK591479
Synonyms: 4- [(4- chlorophenyl)carbonyl]- 2- (4- fluorophenyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2CCC1)C(=O)c1ccc(cc1)Cl

STK591480
Synonyms: N- [(2,5- dimethoxyphenyl)carbamoyl]- L- phenylalanine
Smiles: COc1ccc(c(c1)NC(=O)N[C@H](C(=O)O)Cc1ccccc1)OC

STK591481
Synonyms: N- {4- [(2- ethylpiperidin- 1- yl)sulfonyl]phenyl}- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK851549
Synonyms: 3- (4- bromophenyl)- 6- oxo- 8- phenyl- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1)c1ccc(cc1)Br

STK591484
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 2- (3,5- dimethyl- 1H- pyrazol- 4- yl)acetamide
Smiles: O=C(Cc1c(C)n[nH]c1C)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK591487
Synonyms: 4- [(4- benzylpiperazin- 1- yl)methyl]- 6- chloro- 2H- chromen- 2- one
Smiles: Clc1ccc2c(c1)c(CN1CCN(CC1)Cc1ccccc1)cc(=O)o2

STK851552
Synonyms: (2Z)- 3- oxo- 2- (pyridin- 3- ylmethylidene)- 2,3- dihydro- 1- benzofuran- 6- ylbenzenesulfonate
Smiles: O=C1/C(=C/c2cccnc2)/Oc2c1ccc(c2)OS(=O)(=O)c1ccccc1

STK591490
Synonyms: N- [2- (1H- imidazol- 5- yl)ethyl]biphenyl- 4- carboxamide
Smiles: O=C(c1ccc(cc1)c1ccccc1)NCCc1cnc[nH]1

STK591492
Synonyms: 3- {[2- (4- benzylpiperazin- 1- yl)phenyl](2- hydroxy- 4- oxo- 4,5- dihydrofuran- 3- yl)methyl}- 4- hydroxyfuran- 2(5H)- one
Smiles: OC1=C(C(=O)CO1)C(c1ccccc1N1CCN(CC1)Cc1ccccc1)C1=C(O)COC1=O

STK851553
Synonyms: 5- benzyl- 2- (methoxymethyl)- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COCc1nn2c(c1c1ccccc1)nc(cc2O)Cc1ccccc1

STK591504
Synonyms: 1- {[butyl(methyl)amino]methyl}- 3H- benzo[f]chromen- 3- one
Smiles: CCCCN(Cc1cc(=O)oc2c1c1ccccc1cc2)C

STK591506
Synonyms: N- (furan- 2- ylmethyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NCc1ccco1

STK591510
Synonyms: N- [2- (dimethylamino)ethyl]- 1H- indole- 7- carboxamide
Smiles: CN(CCNC(=O)c1cccc2c1[nH]cc2)C

STK851557
Synonyms: 6,7- dimethyl- 4- oxo- N- [2- (4- sulfamoylphenyl)ethyl]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)C)C)NCCc1ccc(cc1)S(=O)(=O)N

STK591512
Synonyms: N- (2- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: COc1ccccc1N(C(=O)c1ccco1)Cc1cc2ccccc2[nH]c1=O

STK591514
Synonyms: 4- [(3a'S,6a'R)- 3'- (3,4- dihydroxybenzyl)- 5- fluoro- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2

STK851558
Synonyms: N- (2,4- dichlorobenzyl)- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Clc1ccc(c(c1)Cl)CNc1cc(C)nc2n1nc1c2c(C)cc(n1)C

STK591523
Synonyms: 2'- amino- 1'- (5- chloropyridin- 2- yl)- 1- methyl- 2,5'- dioxo- 1,2,5',6',7',8'- hexahydro- 1'H- spiro[indole- 3,4'- quinoline]- 3'- carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(cn2)Cl)C2=C(C31c1ccccc1N(C3=O)C)C(=O)CCC2

STK591525
Synonyms: 7- (4- benzylpiperazin- 1- yl)- 2,5- dimethyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2N1CCN(CC1)Cc1ccccc1

STK851559
Synonyms: methyl(2E)- 4- methyl- 2- {[(thiophen- 2- ylcarbonyl)carbamothioyl]imino}- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1s/c(=N/C(=S)NC(=O)c2cccs2)/[nH]c1C

STK591528
Synonyms: 3- [3- (diethylamino)propyl]- 4- imino- 5- (2- methoxyphenyl)- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: CCN(CCCn1cnc2c(c1=N)C(c1ccccc1OC)c1c(O2)cc(cc1)O)CC

STK591529
Synonyms: 3- ethyl- 2'- hydroxy- 1'- methyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: CCN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)C)O

STK591530
Synonyms: 3- phenyl- 2- propyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCc1nc2oc3ccccc3c(=O)c2c(=O)n1c1ccccc1

STK591533
Synonyms: N'- [(E)- (7- hydroxy- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 8- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: Oc1nc2cc3OCCOc3cc2cc1/C=N/NC(=O)c1ccncc1

STK591534
Synonyms: 6- {[(4- chlorophenyl)sulfanyl]methyl}- 2- (piperidin- 1- yl)pyrimidin- 4- ol
Smiles: Clc1ccc(cc1)SCc1cc(O)nc(n1)N1CCCCC1

STK591535
Synonyms: N- (2- methoxyphenyl)- 7- (4- methoxyphenyl)- 5- methyl- 2- (methylsulfanyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxamide
Smiles: COc1ccc(cc1)C1C(=C(C)N=c2n1nc([nH]2)SC)C(=O)Nc1ccccc1OC

STK591538
Synonyms: 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (naphthalen- 1- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1cccc3c1cccc3)c(=O)c1c(o2)cccc1

STK851560
Synonyms: 3- (2- hydroxyphenyl)- 5- (3- hydroxypropyl)- 4- phenyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccccc1)c([nH]n2)c1ccccc1O

STK851561
Synonyms: 3- (but- 3- en- 2- yl)- 8- (4- ethylphenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: C=CC(n1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1)CC)C

STK591548
Synonyms: 5- (4- chlorophenyl)- 10- [4- (dimethylamino)phenyl]- 1,3- dimethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(cc1)N(C)C)n(C)c(=O)n(c2=O)C

STK851563
Synonyms: 4- [(2,6- dimethylmorpholin- 4- yl)methyl]- 6,7- dimethyl- 2H- chromen- 2- one
Smiles: CC1CN(CC(O1)C)Cc1cc(=O)oc2c1cc(C)c(c2)C

STK591556
Synonyms: 5- ({[(5Z)- 2,4- dioxo- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=O)S/C(=C\c2cccs2)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK591557
Synonyms: 5- [(2,6- dichlorobenzyl)oxy]- 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl

STK851564
Synonyms: 2- (1H- benzimidazol- 2- yl)- 5- methyl- 4- (3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1OC(c2c1cccc2)c1c(C)[nH]n(c1=O)c1nc2c([nH]1)cccc2

STK851566
Synonyms: 1- (4- fluorophenyl)- 4- (4- hydroxy- 3,5- dimethoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cc(cc(c1O)OC)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)F

STK591568
Synonyms: methylN- [(E)- (4- hydroxy- 2,6- dioxo- 1- phenyl- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK591576
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK851567
Synonyms: N- [(2E)- 4,7- dimethylquinazolin- 2(1H)- ylidene]- 4- methylpyrimidin- 2- amine
Smiles: Cc1ccnc(n1)/N=c\1/nc(C)c2c([nH]1)cc(cc2)C

STK591578
Synonyms: (3R)- 2,2- dimethyl- N- [3- (morpholin- 4- yl)propyl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: O=C1c2ccccc2C2N1[C@H](C(=O)NCCCN1CCOCC1)C(S2)(C)C

STK591584
Synonyms: 3,5- dihydroxy- 7,11- diphenyl- 2,4,8,10- tetraazaspiro[5.5]undeca- 2,4- diene- 1,9- dione
Smiles: O=C1NC(c2ccccc2)C2(C(N1)c1ccccc1)C(=NC(=NC2=O)O)O

STK591587
Synonyms: 3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N'- [(4- methylphenyl)sulfonyl]propanehydrazide
Smiles: O=C(NNS(=O)(=O)c1ccc(cc1)C)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK851570
Synonyms: 7- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: Cc1nn(c(c1)C)c1cc(nc2n1nc(c2c1ccccc1)C)C(C)C

STK851571
Synonyms: 5- benzyl- 2- [4- (2- methoxyphenyl)piperazin- 1- yl]- 6- methylpyrimidin- 4- ol
Smiles: COc1ccccc1N1CCN(CC1)c1nc(C)c(c(n1)O)Cc1ccccc1

STK851572
Synonyms: (2Z)- 2- (4- nitrobenzylidene)- 6- (2- oxopropoxy)- 1- benzofuran- 3(2H)- one
Smiles: CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O

STK591597
Synonyms: 2- [3- (9- methoxy- 6H- indolo[2,3- b]quinoxalin- 6- yl)propyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCN1C(=O)c2c(C1=O)cccc2

STK591599
Synonyms: 7- chloro- 2- (4- fluorobenzyl)- 1- (4- hydroxy- 3- methoxyphenyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK591601
Synonyms: 1- benzyl- 7- methyl- 2- [(4- methylpiperazin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: CN1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK851575
Synonyms: 3- (2- chlorophenyl)- 5- methyl- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCC2CCCO2)n2c(n1)c(cn2)c1ccccc1Cl

STK591604
Synonyms: 1'- [2- (3,4- dimethoxyphenyl)ethyl]- 2'- hydroxy- 3- nitro- 6a,7,8,9,10,11- hexahydro- 4'H,5H- spiro[azepino[1,2- a]quinoline- 6,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])O

STK591605
Synonyms: 6- {(3E)- 2- [4- (dimethylamino)phenyl]- 3- [hydroxy(phenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}hexanoicacid
Smiles: OC(=O)CCCCCN1C(c2ccc(cc2)N(C)C)/C(=C(/c2ccccc2)\O)/C(=O)C1=O

STK591606
Synonyms: 5- [4- (diphenylmethyl)piperazin- 1- yl]- 7- methyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridin- 1- amine
Smiles: CN1CCc2c(C1)c(nc1c2c(N)n[nH]1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK591608
Synonyms: 7- chloro- 1- (4- chlorophenyl)- 2- [2- (3,4- dimethoxyphenyl)ethyl]- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccc(cc1)Cl)c(=O)c1c(o2)cc(c(c1)Cl)C