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 920 921 922 923 924 925 926 927 928 929 Next

STK591613
Synonyms: N- [(4- chlorobenzyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl

STK591617
Synonyms: 2- hydroxy- 4- ({3- [(5Z)- 4- oxo- 5- (thiophen- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\c2cccs2)/C1=O

STK851576
Synonyms: 3- methyl- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]butanamide
Smiles: CC(CC(=O)Nc1onc(c1)c1ccc(cc1)C)C

STK851577
Synonyms: ethyl5- [(dimethylcarbamoyl)oxy]- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)N(C)C)c1ccc(cc1)OC

STK591625
Synonyms: (8,8- dimethyl- 2,5,7- trioxo- 3,4a,5,7,7a,8- hexahydropyrrolo[3',4':5,6]thiopyrano[2,3- d][1,3]thiazol- 6(2H)- yl)aceticacid
Smiles: OC(=O)CN1C(=O)C2C(C1=O)C(C)(C)c1c(S2)[nH]c(=O)s1

STK591626
Synonyms: 4- ({4- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK591629
Synonyms: N- {7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl}phenylalanine
Smiles: Cc1cccc(c1)OCC(Cn1c(NC(C(=O)O)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)O

STK851579
Synonyms: 2- methoxyethyl5- [(furan- 2- ylcarbonyl)oxy]- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: COCCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)c1ccco1)C

STK851580
Synonyms: (2Z)- 2- [(2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmethanesulfonate
Smiles: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)C

STK591636
Synonyms: N- (2- cyanoethyl)- N,5,7- trimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: N#CCCN(C(=O)c1nn2c(n1)nc(cc2C)C)C

STK591638
Synonyms: (2E,5Z)- 2- [(3,4- dimethylphenyl)imino]- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2ccc(c(c2)C)C)/S/C/1=C\C=C\c1ccco1

STK591640
Synonyms: 2- [2- amino- 5- phenyl- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- [(4- bromobenzyl)oxy]phenol
Smiles: Brc1ccc(cc1)COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccccc1)C(F)(F)F

STK851581
Synonyms: 4- (furan- 2- yl)- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 2- amine
Smiles: NC1=NC(c2ccco2)n2c(=N1)[nH]c1c2cccc1

STK591643
Synonyms: (3Z)- 5- (4- chlorophenyl)- 3- [4- hydroxy- 1- (3- methoxypropyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]- N- methylpyrazolidine- 1- carbothioamide
Smiles: COCCCN1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccc(cc2)Cl)C(=S)NC)/C1=O)O

STK591646
Synonyms: 2- [(4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1)oc(=O)c1c2CCC1

STK591647
Synonyms: 5- (4- fluorophenyl)- 4- {[(1E,2E)- 3- (furan- 2- yl)- 2- methylprop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccco1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK591655
Synonyms: N- (6- hydroxy- 3,7- dimethyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)phenylalanine
Smiles: OC(=O)C(Nc1nc2c(n1C)c(O)nc(=O)n2C)Cc1ccccc1

STK591656
Synonyms: 8- [benzyl(methyl)amino]- 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N(Cc1ccccc1)C)COc1ccc(cc1)C

STK591664
Synonyms: 2- tert- butylpyrimido[1,2- a]benzimidazol- 4- ol
Smiles: Oc1cc(nc2n1c1ccccc1n2)C(C)(C)C

STK851583
Synonyms: (2Z)- 2- (4- hydroxy- 2- oxo- 1,3- thiazol- 5(2H)- ylidene)- N- [2- (4- methoxyphenyl)ethyl]ethanamide
Smiles: COc1ccc(cc1)CCNC(=O)/C=C/1\SC(=O)N=C1O

STK591665
Synonyms: 3- (3- chlorophenyl)- 2- [(2- hydroxybutyl)amino]- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCC(CNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)O

STK851585
Synonyms: 3- (2- hydroxyphenyl)- 4- (3- hydroxyphenyl)- 5- (3- methoxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)O)c([nH]n2)c1ccccc1O

STK591671
Synonyms: 2- methyl- 7- phenyl- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1ccc2c(c1)C1=C(CO2)C(n2c(N1)ncn2)c1ccccc1

STK851586
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- [5- (2- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: COc1ccccc1Oc1cncnc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK851587
Synonyms: 3- cyclohexyl- 8- (4- methoxyphenyl)- 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(cc1)OC)C1CCCCC1

STK851590
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 5- (3,5- dimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)cc(c1)c1n[nH]c(=S)n1c1ccc2c(c1)OCO2

STK591677
Synonyms: 8- (5- chloro- 2- methylphenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1ccc(c(c1)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C)C

STK591678
Synonyms: N- cyclohexyl- 2- methyl- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidin- 8- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NC2CCCCC2)CCC1

STK591679
Synonyms: N- [(5- chloro- 2- methylphenyl)carbamoyl]- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)Nc1cc(Cl)ccc1C)C

STK591681
Synonyms: 2- [4- (dimethylamino)phenyl]- 12- (furan- 2- yl)- 9,9- dimethyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: CN(c1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CC(CC2=O)(C)C)C

STK591687
Synonyms: 5- (4- fluorophenyl)- 4- hydroxy- 2- (methylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1ccc(cc1)F

STK591688
Synonyms: 3- (furan- 2- ylmethyl)- 2- [(2- hydroxyethyl)amino]- 3,5,6,7,8,9- hexahydro- 4H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: OCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3

STK591689
Synonyms: 6'- hydroxy- 4- methyl- 3'- (propan- 2- yl)- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC(N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O)C

STK591691
Synonyms: (4E)- 2- (2,4- dimethoxyphenyl)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/NCC2CCCN2CC)/c2c(C1=O)cccc2

STK851592
Synonyms: 2- [2- amino- 5- (2- ethoxyphenoxy)pyrimidin- 4- yl]- 5- methoxyphenol
Smiles: CCOc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OC)N

STK591694
Synonyms: (3R)- N- (2- chloro- 6- fluorobenzyl)- 6,7- dimethoxy- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: COc1ccc2c(c1OC)C(=O)N1C2SC[C@H]1C(=O)NCc1c(F)cccc1Cl

STK591696
Synonyms: 4- [(3- acetyl- 1',3'- dimethyl- 2',4',6'- trioxo- 1',2,3,3',4,4',4a,6'- octahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl)amino]- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)C(=O)C)C(=O)N(C)C(=O)N(C1=O)C

STK591698
Synonyms: 3- [3- (propan- 2- yloxy)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CC(OCCCn1cnc2c(c1=O)[nH]c1c2cccc1)C

STK591699
Synonyms: N- (3- ethoxypropyl)- 6,7- dimethoxy- 3,4- dihydroisoquinoline- 2(1H)- carbothioamide
Smiles: CCOCCCNC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK591701
Synonyms: N- benzyl- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: Cc1oc2c(c1C)c(ncn2)NCc1ccccc1

STK591704
Synonyms: N- (6- chloro- 4- oxo- 3- phenyl- 4H- chromen- 2- yl)- 3- nitrobenzamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1

STK591708
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 1- (furan- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(c2nc3c(s2)cccc3)C(c2c1oc1ccccc1c2=O)c1ccco1

STK591710
Synonyms: 6- [4- (benzyloxy)benzyl]- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(cc1)OCc1ccccc1

STK591712
Synonyms: 3- [(2- methoxyphenyl)carbamoyl]- 2- methylquinoline- 4- carboxylicacid
Smiles: COc1ccccc1NC(=O)c1c(C)nc2c(c1C(=O)O)cccc2

STK591715
Synonyms: {[(2Z)- 5- methyl- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]carbamoyl}phosphoramidicacid
Smiles: O=C(NP(=O)(O)O)/N=c/1\sc(c([nH]1)c1ccccc1)C

STK591716
Synonyms: 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- (2- hydroxyethyl)- 4- [4- (methylsulfanyl)phenyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c([nH]n2)c1cc(C)cc(c1O)C

STK591717
Synonyms: 1- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- phenylpyrimidin- 4- yl]azepane
Smiles: Cc1cc(n(n1)c1nc(cc(n1)c1ccccc1)N1CCCCCC1)C

STK851597
Synonyms: N- [1- cyclohexyl- 2- hydroxy- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(N=C(N(C1=O)C1CCCCC1)O)C(F)(F)F

STK591721
Synonyms: N- [(5Z)- 5- (3- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2- methylbenzamide
Smiles: Fc1cccc(c1)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1C

STK591722
Synonyms: 3- (3- ethoxypropyl)- 8- fluoro- 5- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOCCCn1cnc2c(c1=O)n(C)c1c2cc(cc1)F

STK591727
Synonyms: N- (7- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 1- yl)acetamide
Smiles: CC(=O)NN1CCc2c1nc1cc(C)ccc1c2

STK851598
Synonyms: 3- (3,4- dimethoxyphenyl)- 2,5- dimethyl- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1cc(ccc1OC)c1c(C)nn2c1nc(C)cc2NCC1CCCO1

STK591728
Synonyms: 2- hydroxy- 4- {(E)- [2- (4- hydroxyphenyl)- 5- iminio- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenolate
Smiles: Oc1ccc(cc1)c1sc2=NC(=O)/C(=C/c3ccc(c(c3)O)[O-])/C(=[NH2+])n2n1

STK591732
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- 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)c1cc(Cl)ccc1O

STK591735
Synonyms: 7- chloro- 6- methyl- 1- [3- (3- methylbutoxy)phenyl]- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C)C

STK851601
Synonyms: 5- ethoxy- 2- [5- (4- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1ncncc1Oc1ccc(cc1)OC

STK591736
Synonyms: 3- amino- N- (4- fluorophenyl)- 6- (furan- 2- yl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)ccc(n2)c1ccco1

STK591737
Synonyms: 7- (4- benzylpiperidin- 1- yl)- 5- tert- butyl- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CC(c1cc(N2CCC(CC2)Cc2ccccc2)n2c(n1)c(cn2)c1ccccc1)(C)C

STK591738
Synonyms: 1- (3- methoxyphenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591740
Synonyms: N- [(2- methylcyclohexyl)carbamoyl]- L- valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)NC1CCCCC1C

STK591742
Synonyms: (2E)- 3- (11- methyl- 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(nc2)sc2c1C(C)CCC2

STK851603
Synonyms: N- [4- (4- chlorophenyl)- 1,2,5- oxadiazol- 3- yl]pentanamide
Smiles: CCCCC(=O)Nc1nonc1c1ccc(cc1)Cl

STK591744
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK591747
Synonyms: 3- (7- methyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)naphthalen- 2- ol
Smiles: Oc1cc2ccccc2cc1c1nnc2n1cnc1c2cnn1C

STK591749
Synonyms: 8- (5- chloro- 2- methoxyphenyl)- 1,3,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1ccc(cc1n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C)Cl

STK591752
Synonyms: naphthalen- 2- yl(3,5,6,7- tetrahydro- 1'H- spiro[imidazo[4,5- c]pyridine- 4,4'- piperidin]- 1'- yl)methanone
Smiles: O=C(c1ccc2c(c1)cccc2)N1CCC2(CC1)NCCc1c2[nH]cn1

STK591753
Synonyms: (6- methyl- 2- thioxo[1,3]thiazolo[3,2- b][1,2,4]triazol- 1(2H)- yl)(phenyl)methanone
Smiles: S=c1nc2n(n1C(=O)c1ccccc1)c(cs2)C

STK591755
Synonyms: 4- methoxy- N- [3- (morpholin- 4- yl)propyl]- N- (naphthalen- 1- ylmethyl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cccc2c1cccc2)CCCN1CCOCC1

STK591756
Synonyms: 1- amino- N,N- diethyl- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)CC

STK851605
Synonyms: 3- [(2E)- 2- (4- chloro- 3- nitrobenzylidene)hydrazinyl]- 6- methyl- 1,2,4- triazin- 5- ol
Smiles: [O-][N+](=O)c1cc(/C=N/Nc2nnc(c(n2)O)C)ccc1Cl

STK591760
Synonyms: 2- (4- chlorophenyl)- 4- [(4- methylphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1)Cl

STK591763
Synonyms: 2- {[7- (4- methoxyphenyl)- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1ncnc2c1c(C)c(n2c1ccc(cc1)OC)C

STK591765
Synonyms: 12- (furan- 2- yl)- 2- (2- hydroxyphenyl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CCCC2=C1C(c1ccco1)c1c(O2)ncn2c1nc(n2)c1ccccc1O

STK851606
Synonyms: 5,6- dimethyl- 3- phenyl- N- (pyridin- 4- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1nc2n(c(c1C)Nc1ccncc1)ncc2c1ccccc1

STK591783
Synonyms: N'- [5,6- dimethyl- 7- (pyridin- 3- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- yl]- N,N- dimethylethane- 1,2- diamine
Smiles: CN(CCNc1ncnc2c1c(C)c(n2c1cccnc1)C)C

STK851607
Synonyms: methyl{[(2Z)- 2- (3- methylbenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetate
Smiles: COC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O

STK591785
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- alanine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)C

STK591789
Synonyms: (5E)- 5- {[5- (4- chlorophenyl)furan- 2- yl]methylidene}- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2ccc(cc2)Cl)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK591793
Synonyms: 1- (4- methoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591795
Synonyms: 1- (1,3- benzothiazol- 2- yl)- 3- (3- chlorophenyl)- 1- (furan- 2- ylmethyl)urea
Smiles: Clc1cccc(c1)NC(=O)N(c1nc2c(s1)cccc2)Cc1ccco1

STK591796
Synonyms: (2E)- N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3- phenylprop- 2- enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccccc1

STK591797
Synonyms: 4- [4- (methylsulfanyl)phenyl]- 3,4,5,6- tetrahydrobenzo[h]quinazoline- 2- thiol
Smiles: CSc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)S

STK591798
Synonyms: 5- chloro- 3- methyl- N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)- 1- benzofuran- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(C)c(o2)C(=O)Nc1nonc1c1ccccc1

STK591804
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1ccc(cc1)C)N)C

STK591808
Synonyms: 4- (3- ethoxyphenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CCOc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c([nH]n2)c1cc(C)cc(c1O)C

STK591809
Synonyms: 4- {(2E)- 2- [(7- chloro- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 8- yl)methylidene]hydrazinyl}benzoicacid
Smiles: Clc1nc2cc3OCCOc3cc2cc1/C=N/Nc1ccc(cc1)C(=O)O

STK591811
Synonyms: 6- hydroxy- 3- methyl- 8- (4- methylpiperidin- 1- yl)- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(O)nc(=O)n2C

STK591813
Synonyms: 4- ({N- [(5- chloro- 1- methyl- 1H- indol- 2- yl)carbonyl]- L- alanyl}amino)butanoicacid
Smiles: OC(=O)CCCNC(=O)[C@@H](NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK591815
Synonyms: 1- amino- 4- [(2- hydroxyethyl)amino]- 2- [4- (4- methoxyphenyl)piperazin- 1- yl]anthracene- 9,10- dione
Smiles: OCCNc1cc(N2CCN(CC2)c2ccc(cc2)OC)c(c2c1C(=O)c1ccccc1C2=O)N

STK591816
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)pyrimidin- 4- yl]- 5- [(2- chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N

STK591817
Synonyms: 1,1',3,6'- tetramethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CN1CC2(Cc3c1ccc(c3)C)C(=O)N(C)C(=O)N(C2=O)C

STK591823
Synonyms: 2- ({4- ethyl- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- sulfamoylphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1COc1ccc(cc1)C

STK591825
Synonyms: biphenyl- 4- yl(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)c1ccccc1

STK851612
Synonyms: 1- (4- chlorophenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK591829
Synonyms: 2- [(2Z)- 1,3- benzoxazol- 2(3H)- ylideneamino]- 4,6- dimethyl- N- [3- (trifluoromethyl)phenyl]pyrimidine- 5- carboxamide
Smiles: O=C(c1c(C)nc(nc1C)/N=c/1\oc2c([nH]1)cccc2)Nc1cccc(c1)C(F)(F)F

STK591831
Synonyms: N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK591833
Synonyms: 5- [(2- chloro- 6- fluorobenzyl)oxy]- 2- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(cc1OC)c1c[nH]nc1c1ccc(cc1O)OCc1c(F)cccc1Cl

STK851613
Synonyms: 2- [7- (2,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nn2c(n1)c1cnn(c1nc2)c1ccc(cc1C)C

STK851615
Synonyms: 7- ethyl- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1cnc2c1c(=O)n(C)c(=O)n2C

STK591840
Synonyms: N- [3- (ethylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2ccc(c(c2O)C)C)sc2c1CCCC2

STK591844
Synonyms: 5- methyl- 7- {4- [2- (naphthalen- 1- yloxy)ethyl]piperazin- 1- yl}- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)CCOc2cccc3c2cccc3)n2c(n1)nc(n2)C(F)(F)F

STK851617
Synonyms: 2- [4- (2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- yl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK591851
Synonyms: (3aS,4R,4aS,7aR,8R,8aS)- 6- (4- acetylphenyl)- 3- (4- methylphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- epoxy[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: Cc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1O[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK591852
Synonyms: {(5S)- 5- (benzylcarbamoyl)- 3- [(E)- 2- phenylethenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)/C=C/c1ccccc1)C(=O)NCc1ccccc1

STK591855
Synonyms: 4- [(4- benzylpiperazin- 1- yl)methyl]- 6- chloro- 7- hydroxy- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)cc(c(c2)Cl)O

STK591857
Synonyms: 2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccccn1

STK591859
Synonyms: 7- benzyl- 1- (morpholin- 4- yl)- 3- (pyrrolidin- 1- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1c2CCN(Cc2c(nc1N1CCCC1)N1CCOCC1)Cc1ccccc1

STK851620
Synonyms: N- (2- ethylphenyl)- 2- (4- hydroxy- 2- imino- 2,5- dihydro- 1,3- thiazol- 5- yl)acetamide
Smiles: CCc1ccccc1NC(=O)CC1SC(=N)N=C1O

STK591862
Synonyms: tert- butyl[(1S)- 3- methyl- 1- {5- [(4- methylbenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}butyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)NC(=O)OC(C)(C)C)C

STK851621
Synonyms: N- (1- methoxypropan- 2- yl)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: COCC(NC(=O)c1cc2ccccc2oc1=O)C

STK591867
Synonyms: {4- [(3aR,4R,4aR,7aS,8R,8aR)- 5,7- dioxo- 6- (pyridin- 3- ylmethyl)- 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#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1cccnc1

STK591872
Synonyms: 2- benzyl- 1- (3- hydroxyphenyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK591873
Synonyms: N- (4- {[(2Z)- 3- [(2- chlorophenyl)sulfanyl]quinoxalin- 2(1H)- ylidene]sulfamoyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Sc1ccccc1Cl

STK591876
Synonyms: N- (2,6- dimethylphenyl)- 5- (2- hydroxy- 4,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1cc(C)c(cc1O)C)Nc1c(C)cccc1C

STK591886
Synonyms: 2- (2- hydroxyethyl)- 1- [4- (methylsulfanyl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)SC)c(=O)c1c(o2)cccc1

STK591887
Synonyms: (5Z)- 2- hydroxy- 5- (pyridin- 4- ylmethylidene)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccncc1)O

STK851623
Synonyms: N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 7,8- dimethyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: N#Cc1c(NC(=O)c2cc(=O)c3c(o2)c(C)c(cc3)C)sc2c1CCCC2

STK591893
Synonyms: 6- benzyl- 1- (furan- 2- ylmethyl)- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: O=c1nc(O)n(c2c1CN(CN2)Cc1ccccc1)Cc1ccco1

STK591898
Synonyms: 3- [(3a'S,6a'R)- 7- chloro- 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)Nc2c1cccc2Cl

STK591900
Synonyms: 1- (5- methyl- 1- {2- methyl- 6- [(2- phenylethyl)amino]pyrimidin- 4- yl}- 1H- pyrazol- 4- yl)ethanone
Smiles: Cc1nc(NCCc2ccccc2)cc(n1)n1ncc(c1C)C(=O)C

STK591902
Synonyms: 2- (2,4- dichlorophenyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK591911
Synonyms: (2E)- N- [(2Z)- 5- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- phenylprop- 2- enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)SCC(=O)N1CCOCC1)/C=C/c1ccccc1

STK591913
Synonyms: 1- {10- (furan- 2- yl)- 8- methyl- 2- [(4- methylphenoxy)methyl]- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl}ethanone
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK591915
Synonyms: 2- [(3,4- dichlorophenyl)sulfonyl]- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1ccc(c(c1)Cl)Cl

STK591921
Synonyms: 2- [2- amino- 5- phenyl- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: Nc1nc(c2ccc(cc2O)OCc2ccccc2F)c(c(n1)C(F)(F)F)c1ccccc1

STK851624
Synonyms: 2,8,10- trimethyl- N- (propan- 2- yl)pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: CC(Nc1cc(C)nc2n1nc1c2c(C)cc(n1)C)C

STK851625
Synonyms: 2- methyl- N- [2- (morpholin- 4- yl)ethyl]- 3,5- diphenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc(cc2NCCN1CCOCC1)c1ccccc1

STK851626
Synonyms: 3- (furan- 2- yl)- 7- (4- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nnc1c1ccco1

STK591926
Synonyms: 1- {N- [(3- hydroxyquinoxalin- 1(2H)- yl)carbonyl]- L- phenylalanyl}piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)N1CC(=Nc2c1cccc2)O)Cc1ccccc1

STK591928
Synonyms: methyl4- [(3,5- dichlorophenyl)carbamoyl]- 6- hydroxy- 2- methyl- 4,5- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1cc(Cl)cc(c1)Cl)O

STK591929
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- {2- [(3- methylphenyl)carbamoyl]- 1- benzofuran- 3- yl}- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1cc(C)ccc1O)cccc2

STK591931
Synonyms: 7- chloro- 1- (4- hydroxy- 3- methoxyphenyl)- 6- methyl- 2- (prop- 2- en- 1- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591933
Synonyms: (2E)- N- [(2Z)- 5- (benzylsulfonyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- chlorophenyl)prop- 2- enamide
Smiles: O=C(/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccccc1)/C=C/c1ccccc1Cl

STK591940
Synonyms: N- [3- oxo- 2- (trifluoromethyl)- 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 2- yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(Nc2n(C1=O)c1c(n2)cccc1)C(F)(F)F

STK591942
Synonyms: 3- (2- hydroxyphenyl)- 1- (1H- indol- 3- ylmethyl)- 5- (4- methoxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: COc1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK851628
Synonyms: 3- [1- (3,4- dichlorobenzyl)- 1H- benzimidazol- 2- yl]propan- 1- ol
Smiles: OCCCc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)cccc2

STK591946
Synonyms: N- [4- (difluoromethoxy)phenyl]- 5- (5- ethyl- 2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CCc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)OC(F)F)O

STK591950
Synonyms: (5E)- 1- benzyl- 5- {1- [(2,5- dimethoxyphenyl)amino]propylidene}- 2- hydroxypyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)N/C(=C/1\C(=O)N=C(N(C1=O)Cc1ccccc1)O)/CC)OC

STK591955
Synonyms: (4Z)- 4- (1,3- benzodioxol- 5- ylmethylidene)- 2- (2- bromophenyl)- 4H- imidazol- 5- ol
Smiles: OC1=NC(=N/C/1=C\c1ccc2c(c1)OCO2)c1ccccc1Br

STK591956
Synonyms: 2- (3- tert- butyl- 5,9- dimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)- N- cyclopropylacetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NC1CC1

STK591957
Synonyms: 2- [(4- butyl- 6- chloro- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OCC(=O)NCc1cccnc1

STK591958
Synonyms: N'- {(1E)- 1- [4- hydroxy- 1- (4- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}pyridine- 4- carbohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NNC(=O)c1ccncc1

STK591959
Synonyms: 2- [8,9- diphenyl- 2- (pyridin- 3- yl)- 7H- pyrrolo[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 7- yl]ethanol
Smiles: OCCn1c2ncn3c(c2c(c1c1ccccc1)c1ccccc1)nc(n3)c1cccnc1

STK851634
Synonyms: 5- (4- methylphenyl)- 4- {[(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccn1C

STK851635
Synonyms: N- [4- (4- methoxyphenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]- 2- methylpropanamide
Smiles: COc1ccc(cc1)c1c(NC(=O)C(C)C)n(nc(c1=O)C)c1ccccc1

STK591963
Synonyms: [2- (4- methoxyphenyl)- 6,7- dihydro[1,3]thiazolo[5,4- c]pyridin- 5(4H)- yl](naphthalen- 2- yl)methanone
Smiles: COc1ccc(cc1)c1sc2c(n1)CCN(C2)C(=O)c1ccc2c(c1)cccc2

STK851636
Synonyms: 4,7,7- trimethyl- N- (3- methylpyridin- 2- yl)- 3- oxo- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1ncccc1C

STK851637
Synonyms: N- (2,4- dimethoxyphenyl)- 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)Nc1ccc(cc1OC)OC

STK591969
Synonyms: 9- (3- methoxyphenyl)- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cccc(c1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SC

STK851638
Synonyms: 1- ethyl- 5- methoxy- N- (4- methoxyphenyl)- 2- methyl- 1H- indole- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(C)n(c2c1cc(OC)cc2)CC

STK591973
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK591975
Synonyms: 2- (benzylsulfonyl)- 6- ethoxy- 4- methylquinazoline
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)S(=O)(=O)Cc1ccccc1

STK591980
Synonyms: 1- benzyl- 9- 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)cccc1C

STK591981
Synonyms: 2- [5- hydroxy- 2- (pyridin- 3- yl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: Oc1nc2nc(nn2c(c1)N1C(=O)c2c(C1=O)cccc2)c1cccnc1

STK591985
Synonyms: (3S)- N- {(2S)- 3- methyl- 1- [(4- methylphenyl)amino]- 1- oxobutan- 2- yl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK591986
Synonyms: 2- (1,3- benzothiazol- 2- ylamino)- 4- (3,5- difluorophenyl)- 7- methyl- 4,6,7,8- tetrahydroquinazolin- 5- ol
Smiles: Fc1cc(F)cc(c1)C1N=C(Nc2nc3c(s2)cccc3)N=C2C1=C(O)CC(C2)C

STK591987
Synonyms: (5Z)- 3- ethyl- 5- ({3- [2- methyl- 4- (propan- 2- yloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STK591989
Synonyms: 7- chloro- 2- [2- (3,4- dimethoxyphenyl)ethyl]- 6- methyl- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cc(c(c1)Cl)C

STK591990
Synonyms: (3S)- N- {2- [(furan- 2- ylmethyl)amino]- 2- oxoethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C(NCc1ccco1)CNC(=O)[C@H]1NCc2c(C1)cccc2

STK591998
Synonyms: (2Z)- 2- [(6- chloro- 4- oxo- 4H- chromen- 3- yl)methylidene][1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Clc1ccc2c(c1)c(=O)c(co2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK592000
Synonyms: N- (3,4- dimethylphenyl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C)O

STK851645
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 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)Nc1cc(Cl)ccc1OC

STK851647
Synonyms: 8- (2- methoxyphenyl)- 6- oxo- 3- phenyl- 3,4,7,8- tetrahydro- 2H,6H- pyrido[2,1- b][1,3,5]thiadiazine- 9- carbonitrile
Smiles: N#CC1=C2SCN(CN2C(=O)CC1c1ccccc1OC)c1ccccc1

STK592011
Synonyms: 2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- (4- sulfamoylbenzyl)propanamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCc1ccc(cc1)S(=O)(=O)N)C

STK851648
Synonyms: (5Z)- 5- (2- chloro- 6- fluorobenzylidene)- 2- imino- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: N=C1S/C(=C\c2c(F)cccc2Cl)/C(=N1)O

STK592018
Synonyms: 2- (methylsulfanyl)- 9- [4- (methylsulfanyl)phenyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1ccc(cc1)C1C2=C(O)CCCC2=Nc2n1nc(n2)SC

STK592019
Synonyms: 2- (1H- benzimidazol- 1- yl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)Cn1cnc2c1cccc2

STK592022
Synonyms: 3- [(3S,3'S,3a'R,6a'S)- 5- fluoro- 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(F)cc1

STK592023
Synonyms: 8- amino- 7- (3- bromobenzyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Brc1cccc(c1)Cn1c(N)nc2c1c(O)nc(=O)n2C

STK592024
Synonyms: 9- (3- hydroxyphenyl)- 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)O

STK592025
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}- 2- methylbenzamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1ccccc1C)nn2)C(F)(F)F

STK851649
Synonyms: 1- benzyl- N- (2,4- dimethoxyphenyl)- 7- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK592026
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)NC1CCS(=O)(=O)C1)O

STK851650
Synonyms: 7- [(2- chloro- 4- fluorobenzyl)oxy]- 3- (3,4- dimethoxyphenyl)- 4H- chromen- 4- one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1Cl)F

STK592033
Synonyms: 5,6- dimethyl- N- [3- (morpholin- 4- yl)propyl]- 7- phenyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c2c(NCCCN3CCOCC3)ncnc2n(c1C)c1ccccc1

STK592034
Synonyms: (3a'S,6a'R)- 5'- tert- butyl- 3'- (2- methylpropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1)C

STK592037
Synonyms: methylN- [(1- benzylpiperidin- 4- yl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC1)Cc1ccccc1

STK592038
Synonyms: 6- methoxy- N- [3- (morpholin- 4- yl)propyl]- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCCN1CCOCC1

STK592041
Synonyms: (2Z)- 2- (thiophen- 3- ylmethylidene)- 1- azabicyclo[2.2.2]octan- 3- one
Smiles: O=C1C2CCN(/C/1=C\c1cscc1)CC2

STK592044
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- {4- [(3- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK592046
Synonyms: (5E)- 2,6- dihydroxy- 5- {1- [(1- phenylethyl)amino]ethylidene}pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/NC(c2ccccc2)C)\C)/C(=N1)O

STK592050
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)c1ccc(cc1)Cl)N)C

STK592057
Synonyms: N- (2,5- dimethylphenyl)- 6- fluoro- 2- methylquinoline- 4- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1cc(C)nc2c1cc(F)cc2)C

STK851651
Synonyms: 2- (1,3- benzothiazol- 2- yl)- N- phenylpyridine- 3- carboxamide
Smiles: O=C(c1cccnc1c1nc2c(s1)cccc2)Nc1ccccc1

STK592065
Synonyms: 2- [3- (furan- 2- ylmethyl)- 2,4- dioxo- 3,4,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl]acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccco1)CCCCC3

STK592068
Synonyms: 4- (2- chlorophenyl)- 5- (1H- pyrazol- 5- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccccc1Cl)c1[nH]ncc1

STK592070
Synonyms: N- benzyl- 3- (1H- indol- 3- yl)- N,2- dimethylpropanamide
Smiles: CC(C(=O)N(Cc1ccccc1)C)Cc1c[nH]c2c1cccc2

STK592073
Synonyms: 4- (4- bromophenyl)- 3,4,5,6- tetrahydrobenzo[h]quinazolin- 2- ol
Smiles: Brc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)O

STK592074
Synonyms: 2- (2- chlorobenzyl)- 1- (3- hydroxyphenyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592079
Synonyms: N- [5- hydroxy- 2- (2- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2)n2c(n1)nc(n2)c1ccccc1C

STK851654
Synonyms: N- [(2E)- 6- (methylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 2- carboxamide
Smiles: CNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccccn1)/[nH]2

STK592083
Synonyms: 4- (4- fluorophenyl)- 3,4,5,6- tetrahydrobenzo[h]quinazolin- 2- ol
Smiles: Fc1ccc(cc1)C1NC(=NC2=C1CCc1c2cccc1)O

STK851655
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(N2CCC(CC2)Cc2ccccc2)n2c(n1)c1c(C)cc(nc1n2)C

STK592089
Synonyms: N- (1- benzylpiperidin- 4- yl)- 5- methoxy- 3- methyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)NC1CCN(CC1)Cc1ccccc1

STK592091
Synonyms: 3- hydroxy- 2- [(2E)- 2- (2- methylbenzylidene)hydrazinyl]quinazolin- 4(3H)- one
Smiles: Cc1ccccc1/C=N/Nc1nc2ccccc2c(=O)n1O

STK592099
Synonyms: 5- tert- butyl- 7- [4- (3- fluoro- 4- methoxybenzyl)piperazin- 1- yl]- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1F)CN1CCN(CC1)c1cc(nc2n1ncc2c1ccccc1)C(C)(C)C

STK592100
Synonyms: 2- [(3,5- dimethoxybenzyl)amino]- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrimido[6,1- a]isoquinolin- 4- one
Smiles: COc1cc(CNc2nc(=O)n3c(c2)c2cc(OC)c(cc2CC3)OC)cc(c1)OC

STK851658
Synonyms: 1- ethyl- 3- nitro- 4- (4- phenylpiperazin- 1- yl)quinolin- 2(1H)- one
Smiles: CCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])N1CCN(CC1)c1ccccc1

STK592102
Synonyms: 3- (4- methoxybenzyl)- 10- methyl- 2- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCc1nc2c(c(=O)n1Cc1ccc(cc1)OC)c(=O)c1c(n2C)cccc1

STK592104
Synonyms: N- benzyl- N- ethyl- 5- methoxy- 3- methyl- 1H- indole- 2- carboxamide
Smiles: CCN(C(=O)c1[nH]c2c(c1C)cc(cc2)OC)Cc1ccccc1

STK592107
Synonyms: 2- chloro- N'- {(Z)- [2- hydroxy- 1- (3- methoxyphenyl)- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}benzohydrazide
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C/NNC(=O)c2ccccc2Cl)/C1=O)O

STK851660
Synonyms: 3- (2- chlorophenyl)- 7- (2- ethyl- 1H- imidazol- 1- yl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidine
Smiles: CCc1nccn1c1cc(C)nc2n1nc(c2c1ccccc1Cl)C

STK592109
Synonyms: N- (3- bromobenzyl)- 3- chloro- N- (1,1- dioxidotetrahydrothiophen- 3- yl)benzamide
Smiles: Brc1cccc(c1)CN(C(=O)c1cccc(c1)Cl)C1CCS(=O)(=O)C1

STK851661
Synonyms: N- [4- (trifluoromethoxy)phenyl]- 1H- benzimidazole- 6- carboxamide
Smiles: O=C(c1ccc2c(c1)[nH]cn2)Nc1ccc(cc1)OC(F)(F)F

STK851662
Synonyms: 1- benzyl- N- (3- methoxypropyl)- 7- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cc(cc1)C

STK592110
Synonyms: ethyl4- {[2- (dimethylamino)- 5- (trifluoromethyl)phenyl]amino}- 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1cc(ccc1N(C)C)C(F)(F)F)n1nc(cc1C)C

STK851663
Synonyms: 1- benzyl- 9- methyl- 2- (pyrrolidin- 1- ylcarbonyl)pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=c1c2cc(n(c2nc2n1cccc2C)Cc1ccccc1)C(=O)N1CCCC1

STK851664
Synonyms: 3- benzyl- 8- (2,4- dimethoxyphenyl)- 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(cc1OC)OC)Cc1ccccc1

STK592114
Synonyms: N- [(4- methylbenzyl)carbamoyl]isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)NCc1ccc(cc1)C)C

STK592116
Synonyms: 4- [(4- benzylpiperidin- 1- yl)methyl]- 6,7- dimethyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCC(CC2)Cc2ccccc2)c2c(o1)cc(c(c2)C)C

STK592118
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- (phenylsulfanyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COCCn1c(Sc2ccccc2)nc2c1c(O)nc(=O)n2C

STK851665
Synonyms: 4- (4- methoxyphenyl)- N- (pyridin- 4- yl)tetrahydro- 2H- pyran- 4- carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccncc1

STK592119
Synonyms: 7- chloro- 5- (morpholin- 4- yl)- 2,1,3- benzoxadiazol- 4- amine
Smiles: Nc1c(cc(c2c1non2)Cl)N1CCOCC1

STK592121
Synonyms: (3aR,6aS)- 3- (4- chlorophenyl)- 5- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 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)c1ccc2c(c1)OCCO2

STK851666
Synonyms: 3- [7- (3,5- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Oc1cccc(c1)c1nc2n(n1)cnc1c2cnn1c1cc(C)cc(c1)C

STK592126
Synonyms: 7- hydroxy- 5- (4- methoxyphenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]c(n2)SCC=C)O

STK851667
Synonyms: N- [4- (4- methoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 3- methylbutanamide
Smiles: COc1ccc(cc1)c1nonc1NC(=O)CC(C)C

STK592131
Synonyms: 6'- hydroxy- 4- methyl- 3'- (4- methylphenyl)- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O

STK592133
Synonyms: 2- [4- (4- chlorophenyl)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccc(cc1)Cl)C

STK592137
Synonyms: 2- [4- (4- methoxyphenyl)- 3- (trifluoromethyl)- 1,2- oxazol- 5- yl]- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK592138
Synonyms: 1,3- dimethyl- 8- (4- methylpiperazin- 1- yl)- 7- {2- [(4- methylpyrimidin- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1CCSc1nccc(n1)C)c(=O)n(c(=O)n2C)C

STK592139
Synonyms: ethyl4- hydroxy- 2- (4- phenylpiperazin- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1O)N1CCN(CC1)c1ccccc1

STK592140
Synonyms: (5Z)- 5- {[5- (3- fluorophenyl)furan- 2- yl]methylidene}- 4- hydroxy- 1,5- dihydro- 2H- imidazol- 2- one
Smiles: Fc1cccc(c1)c1ccc(o1)/C=C/1\NC(=O)N=C1O

STK592147
Synonyms: 2- {[3- (methylsulfanyl)- 1,2,4- thiadiazol- 5- yl]sulfanyl}- N- [(2E)- 4- methyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: CSc1nsc(n1)SCC(=O)/N=c\1/scc([nH]1)C

STK592150
Synonyms: N,4- dimethyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C

STK592151
Synonyms: 3- (8,9- dimethylfuro[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)naphthalen- 2- ol
Smiles: Oc1cc2ccccc2cc1c1nn2c(n1)c1c(nc2)oc(c1C)C

STK592152
Synonyms: 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Clc1cccc(c1)N1CCN(CC1)Cc1[nH]c2c(n1)n(C)c(=O)nc2O

STK592153
Synonyms: 7- chloro- 1- (3- hydroxyphenyl)- 2- (3- methoxypropyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK851670
Synonyms: 2- methyl- 1- (3- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CN1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK592159
Synonyms: (4E)- 2- (3- methoxyphenyl)- 4- {[(pyridin- 2- ylmethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/NCc2ccccn2)/c2c(C1=O)cccc2

STK592160
Synonyms: (3a'S,6a'R)- 5- chloro- 3'- (3,4- dihydroxybenzyl)- 5'- (3- methoxypropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(Cl)cc2

STK851671
Synonyms: N- (3,4- difluorophenyl)- 3- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CCn1cnc2c(c1=O)cccc2

STK592163
Synonyms: 4- {[(E)- (2,3- dimethoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1c(cccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK592164
Synonyms: 5- [4- (dimethylamino)phenyl]- 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/C)C

STK592167
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 5- (propan- 2- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC(c1[nH]n(c(=O)c1)c1nc2c(s1)cccc2)C

STK851672
Synonyms: 5- benzyl- 3- (2- methoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccccc1c1c(C)nn2c1nc(Cc1ccccc1)cc2O

STK851673
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (4- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK592169
Synonyms: 3,4- dimethoxy- N- [3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]benzamide
Smiles: CSCCC(c1nnc2n1cccc2)NC(=O)c1ccc(c(c1)OC)OC

STK592172
Synonyms: 2- [4- (6- hydroxy- 3- methyl- 2- oxo- 7- propyl- 3,7- dihydro- 2H- purin- 8- yl)piperazin- 1- yl]acetamide
Smiles: CCCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)CC(=O)N

STK592179
Synonyms: 2- (4- chlorophenyl)- 9,9- dimethyl- 12- (pyridin- 3- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2cccnc2)C2=C(O1)CC(CC2=O)(C)C

STK592182
Synonyms: 2- benzyl- 7- chloro- 1- (3- hydroxyphenyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK851674
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 5- methyl- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCCCn2cncc2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK592188
Synonyms: 4- [4- (4- chlorophenyl)- 3- (trifluoromethyl)- 1,2- oxazol- 5- yl]benzene- 1,3- diol
Smiles: Clc1ccc(cc1)c1c(onc1C(F)(F)F)c1ccc(cc1O)O

STK851675
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 4,7- dimethyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\nc(C)c2c([nH]1)CC(CC2=O)C

STK592190
Synonyms: 2- (4- fluorophenyl)- 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)c1ccc(cc1)F

STK851677
Synonyms: N- (2- chlorophenyl)- 2- (4- hydroxy- 2- imino- 2,5- dihydro- 1,3- thiazol- 5- yl)acetamide
Smiles: O=C(Nc1ccccc1Cl)CC1SC(=N)N=C1O

STK592193
Synonyms: 1- (3- methylphenyl)- 4- oxo- N- {3- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 1,4- dihydropyridazine- 3- carboxamide
Smiles: Cc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2

STK592194
Synonyms: N- (4- {[(4E)- 2- (thiophen- 2- yl)- 4H- chromen- 4- ylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=c/1\cc(oc2c1cccc2)c1cccs1

STK592195
Synonyms: 8- [(diethylammonio)methyl]- 3- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 4- oxo- 4H- chromen- 7- olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2)CC

STK592201
Synonyms: N- benzyl- 5- chloro- N- methyl- 1H- indole- 2- carboxamide
Smiles: Clc1ccc2c(c1)cc([nH]2)C(=O)N(Cc1ccccc1)C

STK592205
Synonyms: 5- (pyridin- 2- yl)- 4- {[(E)- (2,4,5- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(OC)c(cc1/C=N/n1c(=S)[nH]nc1c1ccccn1)OC

STK592206
Synonyms: 3- [(2S)- 1- (4- methylpiperazin- 1- yl)- 1- oxopropan- 2- yl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: CN1CCN(CC1)C(=O)[C@@H](n1nnc2c(c1=O)cccc2)C

STK851683
Synonyms: 2- [2- amino- 5- (2- methoxyphenoxy)pyrimidin- 4- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)C)N

STK592210
Synonyms: 5- (2- hydroxy- 3,4- dimethylphenyl)- N- [4- (morpholin- 4- ylsulfonyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1

STK592211
Synonyms: 2- (1- acetyl- 5- phenyl- 4,5- dihydro- 1H- pyrazol- 3- yl)phenyl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)C)/C=C/c1ccccc1

STK851684
Synonyms: (2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CC

STK592213
Synonyms: N- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: CNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK592218
Synonyms: (1S)- 2- (1H- indol- 3- yl)- 1- (5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)ethanamine
Smiles: N[C@H](c1nnc(o1)SC/C=C/c1ccccc1)Cc1c[nH]c2c1cccc2

STK592222
Synonyms: 4- [({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK592223
Synonyms: N- ({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)- L- alanine
Smiles: OC(=O)[C@@H](NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK851686
Synonyms: 5- [(4- fluorobenzyl)oxy]- 2- [5- (4- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1ccc(cc1)F

STK592228
Synonyms: 1- {1- [6- (2- fluorophenoxy)- 2- methylpyrimidin- 4- yl]- 5- methyl- 1H- pyrazol- 4- yl}ethanone
Smiles: Cc1nc(Oc2ccccc2F)cc(n1)n1ncc(c1C)C(=O)C

STK851688
Synonyms: N- (4- methoxybenzyl)- 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)NCc1ccc(cc1)OC

STK851689
Synonyms: 6- [3- (4- chlorophenoxy)propyl]- 7,9- dimethyl- 6H- indolo[2,3- b]quinoxaline
Smiles: Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(cc1)Cl

STK592233
Synonyms: 6- chloro- 2- [(4- chlorobenzyl)amino]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccc(cc1)CNc1nc2n(n1)c(O)c(c(n2)C)Cl

STK592237
Synonyms: 2- (4- methylpiperazin- 1- yl)- 6- propylpyrimidin- 4- ol
Smiles: CCCc1cc(O)nc(n1)N1CCN(CC1)C

STK851690
Synonyms: 2- (4- fluorophenoxy)- N- [4- (4- methoxyphenyl)- 1,2,5- oxadiazol- 3- yl]butanamide
Smiles: CCC(C(=O)Nc1nonc1c1ccc(cc1)OC)Oc1ccc(cc1)F

STK592240
Synonyms: ethyl6- hydroxy- 4- (4- methoxyphenyl)- 2- (4- phenylpiperazin- 1- yl)- 4,5- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccc(cc1)OC)N1CCN(CC1)c1ccccc1)O

STK592244
Synonyms: (2E)- 2- cyano- 3- (2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)- N- (tetrahydrofuran- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc2c(c1)CC(O2)C)/C(=O)NCC1CCCO1

STK592248
Synonyms: N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 1- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(n1C)nc1n(c2=O)cccc1

STK592249
Synonyms: 8- (4- fluorophenyl)- 4- hydroxy- 1- methyl- 7- phenyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Fc1ccc(cc1)n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK851694
Synonyms: 2,5- dimethyl- 3- (4- methylphenyl)- N- (tetrahydrofuran- 2- ylmethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NCC1CCCO1

STK592251
Synonyms: 6- hydroxy- 3- [(Z)- (4- hydroxy- 2- thioxo- 1,3- thiazol- 5(2H)- ylidene)methyl]- 4H- chromen- 4- one
Smiles: OC1=NC(=S)S/C/1=C\c1coc2c(c1=O)cc(cc2)O

STK851695
Synonyms: 3- (4- chlorophenyl)- N- (4- fluorophenyl)- 5- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Fc1ccc(cc1)Nc1cc(C)nc2n1ncc2c1ccc(cc1)Cl

STK592253
Synonyms: tert- butyl(3S)- 3- [(3- methoxybenzyl)carbamoyl]- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: COc1cccc(c1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK592254
Synonyms: N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)methanesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)C)Cc1cccnc1

STK851698
Synonyms: 4- hydroxy- 6- (2- methoxyphenyl)- 2- phenyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: COc1ccccc1c1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK592264
Synonyms: (4E)- 2- (2- chlorophenyl)- 4- (furan- 2- ylmethylidene)- 4H- imidazol- 5- ol
Smiles: OC1=NC(=N/C/1=C/c1ccco1)c1ccccc1Cl

STK592266
Synonyms: 4- {[(4Z)- 2- (4- methylphenyl)quinazolin- 4(3H)- ylidene]amino}benzoicacid
Smiles: Cc1ccc(cc1)c1nc2ccccc2/c(=N/c2ccc(cc2)C(=O)O)/[nH]1

STK592271
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]pentanamide
Smiles: CCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl

STK592273
Synonyms: N- (2- hydroxypropyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2)O

STK592275
Synonyms: (4E)- 2- (3- methoxyphenyl)- 4- [(pyridin- 2- ylamino)methylidene]isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1cccc(c1)N1C(=O)/C(=C/Nc2ccccn2)/c2c(C1=O)cccc2

STK592276
Synonyms: 7- chloro- 5- (pyrrolidin- 1- yl)- 2,1,3- benzoxadiazol- 4- amine
Smiles: Nc1c(cc(c2c1non2)Cl)N1CCCC1

STK851700
Synonyms: 5- ethoxy- 4- ethyl- 2- [3- methyl- 4- (4- methyl- 1,3- thiazol- 2- yl)- 1H- pyrazol- 5- yl]phenol
Smiles: CCOc1cc(O)c(cc1CC)c1[nH]nc(c1c1scc(n1)C)C

STK851701
Synonyms: (2Z)- 2- (furan- 2- ylmethylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)/C2=O)CC

STK592282
Synonyms: 5- [(4- nitrobenzyl)oxy]- 2- [4- phenyl- 3- (trifluoromethyl)- 1H- pyrazol- 5- yl]phenol
Smiles: Oc1cc(ccc1c1[nH]nc(c1c1ccccc1)C(F)(F)F)OCc1ccc(cc1)[N+](=O)[O-]

STK592288
Synonyms: N- (2,6- dimethylphenyl)- 2- ({5- [(2S)- pyrrolidin- 2- yl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(o1)[C@@H]1CCCN1

STK592289
Synonyms: {[(2Z)- 2- (3- fluorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(c1)F)/C2=O

STK851702
Synonyms: 5- [(2- methylprop- 2- en- 1- yl)oxy]- 2- (5- phenylpyrimidin- 4- yl)phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1ncncc1c1ccccc1

STK592291
Synonyms: ethylN- acetyl- 2- (ethoxycarbonyl)- 6- [hydroxy(2- phenylethyl)phosphoryl]norleucinate
Smiles: CCOC(=O)C(C(=O)OCC)(NC(=O)C)CCCCP(=O)(CCc1ccccc1)O

STK592292
Synonyms: N- [(4- phenylpiperazin- 1- yl)carbonyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CCN(CC1)c1ccccc1)C

STK592295
Synonyms: methyl2- amino- 6- benzyl- 4- (2- methoxyphenyl)- 7- methyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccccc1OC)c(=O)n(c(c2)C)Cc1ccccc1

STK851706
Synonyms: 5- phenyl- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Oc1cc(nc2n1nc(n2)C(F)(F)F)c1ccccc1

STK592308
Synonyms: 2- (benzylsulfanyl)- N- [(2Z)- 5,5- dioxido- 3- (prop- 2- en- 1- yl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: C=CCN1/C(=N/C(=O)CSCc2ccccc2)/SC2C1CS(=O)(=O)C2

STK592310
Synonyms: 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: NCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK592312
Synonyms: {2- [(3aR,4R,4aR,7aS,8R,8aR)- 6- cyclohexyl- 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)N(C2=O)C1CCCCC1

STK851712
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]- 2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- amine
Smiles: Cc1nn2c(c1c1ccccc1)nc1c(c2NCCCn2cncc2)CCCC1

STK592316
Synonyms: N- (4- sulfamoylbenzyl)- 2- [(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetamide
Smiles: O=C(NCc1ccc(cc1)S(=O)(=O)N)COc1ccc2c(c1C)oc(=O)c(c2C)C

STK592319
Synonyms: 6,8- dibromo- N- [2- (diethylamino)ethyl]- 2,4- dihydroxyquinoline- 3- carboxamide
Smiles: CCN(CCNC(=O)c1c(O)nc2c(c1O)cc(cc2Br)Br)CC

STK851713
Synonyms: 4- (3- methoxyphenyl)- 1- (3- methylphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)C

STK851714
Synonyms: 2- [2- amino- 5- (4- methoxyphenoxy)pyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK592320
Synonyms: (4Z)- 5- hydroxy- 4- [(6- hydroxy- 4- oxo- 4H- chromen- 3- yl)methylidene]- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=NN(C1=O)c1ccccc1)O

STK592321
Synonyms: 4- {(2E)- 2- [(2- chloro- 6- methylquinolin- 3- yl)methylidene]hydrazinyl}benzoicacid
Smiles: Cc1ccc2c(c1)cc(c(n2)Cl)/C=N/Nc1ccc(cc1)C(=O)O

STK851715
Synonyms: 7- [(2- fluorobenzyl)oxy]- 3- phenyl- 4H- chromen- 4- one
Smiles: Fc1ccccc1COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK592327
Synonyms: N- (3- chloro- 4- methylphenyl)- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)Cl)C

STK592328
Synonyms: {(5S)- 3- [4- (2- amino- 2- oxoethoxy)- 3- methoxyphenyl]- 5- [(2,4- dimethylphenyl)carbamoyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: COc1cc(ccc1OCC(=O)N)C1=NO[C@@](C1)(CC(=O)O)C(=O)Nc1ccc(cc1C)C

STK592329
Synonyms: 2- (4- phenoxyphenyl)- 2,3- dihydro- 1H- isoindol- 1- imine
Smiles: N=C1N(Cc2c1cccc2)c1ccc(cc1)Oc1ccccc1

STK592330
Synonyms: 2- chloro- N- (5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2Cl)n2c(n1)ncn2

STK592331
Synonyms: 1- ethyl- 4- (1- methyl- 3- nitro- 1H- 1,2,4- triazol- 5- yl)piperazine
Smiles: CCN1CCN(CC1)c1nc(nn1C)[N+](=O)[O-]

STK851716
Synonyms: 2- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 5- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1[nH]ncc1c1ccc(c(c1)OC)OC

STK592334
Synonyms: 4- {[4- (3- chlorophenyl)piperazin- 1- ium- 1- yl]methyl}- 6- ethyl- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1cc2c(cc1[O-])oc(=O)cc2C[NH+]1CCN(CC1)c1cccc(c1)Cl

STK851718
Synonyms: 3- methyl- 2- phenylimidazo[2,1- a]isoquinoline
Smiles: Cc1c(nc2n1ccc1c2cccc1)c1ccccc1

STK592338
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 5- (2- hydroxy- 3,5- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)NCc1ccc2c(c1)OCO2)O

STK851719
Synonyms: 8- (2- ethylphenyl)- 3- (3- hydroxypropyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1ccccc1CC

STK592341
Synonyms: 5- (3- chlorophenyl)- 6- hydroxy- 1,3,8,8- tetramethyl- 5,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(c(=O)n2C)C)(C)C

STK851721
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (2- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COc1cc(CCNc2cc(C)nc3n2nc(c3c2ccccc2OC)C)ccc1OC

STK592347
Synonyms: 7- (2- chlorophenyl)- 3- (pyridin- 3- yl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1cccnc1

STK592353
Synonyms: methylN- (1,3- benzodioxol- 5- ylcarbamoyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc2c(c1)OCO2

STK592355
Synonyms: N- (4- fluorophenyl)- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(Nc2ccc(cc2)F)n2c(n1)c(c1ccccc1)c(n2)C

STK592359
Synonyms: 5- (2- hydroxy- 4- methylphenyl)- N- (4- sulfamoylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N

STK592361
Synonyms: [(7- chloro- 1- hydroxy- 9- oxo- 9H- xanthen- 3- yl)oxy]aceticacid
Smiles: OC(=O)COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)Cl

STK592362
Synonyms: 8- (4- chlorophenyl)- 11- (4- methoxyphenyl)- 2,10- dimethyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)C)c1ccc(cc1)Cl

STK592363
Synonyms: N'- [(E)- 2,3- dihydro- 1,4- benzodioxin- 6- ylmethylidene]- 2- hydroxybenzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1ccc2c(c1)OCCO2

STK851723
Synonyms: N- (3,4- dimethoxybenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3,6- dimethyl- 1- benzofuran- 2- carboxamide
Smiles: COc1cc(ccc1OC)CN(C(=O)c1oc2c(c1C)ccc(c2)C)C1CCS(=O)(=O)C1

STK592367
Synonyms: N- [2- (1H- imidazol- 5- yl)ethyl]- 3,5- dimethoxybenzamide
Smiles: COc1cc(OC)cc(c1)C(=O)NCCc1cnc[nH]1

STK851724
Synonyms: 2- (3,4,5- trimethoxyphenyl)- 3,5,6,7- tetrahydro- 8H- cyclopenta[d][1,2,4]triazolo[1,5- a]pyrimidin- 8- one
Smiles: COc1c(OC)cc(cc1OC)c1[nH]c2n(n1)c(=O)c1c(n2)CCC1

STK592368
Synonyms: N- [4- (4- chlorophenyl)- 6- methyl- 5- oxo- 2- phenyl- 2,5- dihydropyridazin- 3- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1n(nc(c(=O)c1c1ccc(cc1)Cl)C)c1ccccc1

STK592373
Synonyms: 3- chloro- 4- methoxy- N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1nonc1c1ccccc1

STK592381
Synonyms: 2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- [2- (4- sulfamoylphenyl)ethyl]acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCCc1ccc(cc1)S(=O)(=O)N

STK592384
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- methyl- 5- (3- methylbutyl)pyrimidin- 4- ol
Smiles: CC(CCc1c(C)nc(nc1O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK592389
Synonyms: 2,6- dihydroxy- 5- (piperidin- 1- ylmethyl)pyrimidine- 4- carboxylicacid
Smiles: Oc1nc(O)c(c(n1)C(=O)O)CN1CCCCC1

STK592390
Synonyms: 8- [(4- benzylpiperazin- 1- yl)methyl]- 7- (3- chlorobenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1cccc(c1)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK592391
Synonyms: N- [2- methyl- 5- (3- methyl[1,2,4]triazolo[3,4- a]phthalazin- 6- yl)phenyl]propanamide
Smiles: CCC(=O)Nc1cc(ccc1C)c1nn2c(C)nnc2c2c1cccc2

STK592393
Synonyms: N- {N- [(2E)- 4,7- dimethylquinazolin- 2(1H)- ylidene]carbamimidoyl}benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C(=N)NS(=O)(=O)c1ccccc1)/nc2C

STK592398
Synonyms: N- [2- hydroxy- 1- (4- methoxybenzyl)- 4,6- dioxo- 5- (trifluoromethyl)- 4,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]acetamide
Smiles: COc1ccc(cc1)Cn1c(O)nc(=O)c2c1NC(=O)C2(NC(=O)C)C(F)(F)F

STK592400
Synonyms: 5,6- di(furan- 2- yl)- N- (pyridin- 2- yl)furo[2,3- d]pyrimidin- 4- amine
Smiles: c1ccc(nc1)Nc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK592403
Synonyms: 3- (3,4- dichlorophenyl)- 7- (3,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cc(ccc1C)n1ncc2c1ncn1c2nnc1c1ccc(c(c1)Cl)Cl

STK592404
Synonyms: (5S)- 3- (4- fluorophenyl)- 5- methylimidazolidine- 2,4- dione
Smiles: Fc1ccc(cc1)N1C(=O)N[C@H](C1=O)C

STK851729
Synonyms: ethyl7- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)c1cnc2n(c1O)nc(n2)c1ccccc1

STK592406
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- (1- {[2- (1H- indol- 3- yl)ethyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/CC)/C1=O)O

STK592407
Synonyms: 2- ({4- amino- 5- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (5- chloropyridin- 2- yl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cn1)Cl

STK851732
Synonyms: 2- amino- 5- (3- bromophenyl)- 4- hydroxy- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: O=C1Nc2nc(N)nc(c2C(C1)c1cccc(c1)Br)O

STK592409
Synonyms: (3aR,6aS)- 5- (3- chloro- 2- methylphenyl)- 3- (2,5- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(c(c1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1C)Cl)OC

STK592410
Synonyms: N- carbamimidoyl- 4- {[(Z)- (3- methyl- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)methyl]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)N/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK592415
Synonyms: 4- acetyl- 3- hydroxy- 1- (hydroxymethyl)- 5- [4- (propan- 2- yl)phenyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCN1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)C

STK592416
Synonyms: 2- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 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)CSc1nc2c(o1)cccc2

STK592420
Synonyms: 1- (3- chlorophenyl)- 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)c1cccc(c1)Cl

STK592424
Synonyms: N- [2- (1H- imidazol- 5- yl)ethyl]- 4- phenylbutanamide
Smiles: O=C(NCCc1cnc[nH]1)CCCc1ccccc1

STK592425
Synonyms: ({[2- (3,4- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}[(4- fluorophenyl)amino]methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCC(=O)c1ccc(c(c1)OC)OC)C#N

STK592430
Synonyms: 6- chloro- N- {3- [(3- methoxypropyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cc(c(c3)Cl)C)sc2c1CCCC2

STK592431
Synonyms: N- [(4- ethylphenyl)carbamoyl]- L- alanine
Smiles: CCc1ccc(cc1)NC(=O)N[C@H](C(=O)O)C

STK592434
Synonyms: 2- [(2- chlorobenzyl)amino]- 5- propyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: CCCc1cc(=O)n2c(n1)[nH]c(n2)NCc1ccccc1Cl

STK851734
Synonyms: 6- hydroxy- 4- (3- nitrophenyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 4,5- dihydropyridine- 3- carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]

STK592435
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}pyrimidin- 4- ol
Smiles: Oc1cc(CSc2nnc(s2)C)nc(n1)N1CCN(CC1)Cc1ccccc1

STK851735
Synonyms: 5- methoxy- 2- [7- (2- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccccc1C

STK592439
Synonyms: 4- (ethylsulfanyl)- 7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK592440
Synonyms: 4- imino- 2- (4- methylphenyl)- 6,7- dihydro- 4H- [1,3]dioxolo[4,5- g]pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(cc1)C

STK592441
Synonyms: 9- methoxy- 6- [2- (4- methylpiperidin- 1- yl)- 2- oxoethyl]- 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)C

STK592442
Synonyms: 7- fluoro- 2- (6- methylpyridin- 2- yl)- 1- (3- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cccc(n1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)F

STK592446
Synonyms: 2- methoxy- 4- {(E)- [3- (3- methoxypropyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}phenyl3- methyl- 1- benzofuran- 2- carboxylate
Smiles: COCCCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OC(=O)c2oc3c(c2C)cccc3)/C1=O

STK592458
Synonyms: 6- (furan- 2- yl)- 9- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccco1

STK851741
Synonyms: 1- (3- methoxypropyl)- 4- oxo- N- (propan- 2- yl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NC(C)C

STK592460
Synonyms: 5- bromo- 6- chloro- N- (5- chloropyridin- 2- yl)pyridine- 3- sulfonamide
Smiles: Clc1ccc(nc1)NS(=O)(=O)c1cnc(c(c1)Br)Cl

STK592461
Synonyms: 8- bromo- N- (4- chlorophenyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Clc1ccc(cc1)Nc1ncnc2c1oc1c2cc(cc1)Br

STK592466
Synonyms: 3- (5- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)propanoicacid
Smiles: OC(=O)CCc1nn2c(n1)c1c(nc2C)sc2c1CCCC2

STK592467
Synonyms: N'- [5,6- bis(4- methoxyphenyl)furo[2,3- d]pyrimidin- 4- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: COc1ccc(cc1)c1c(oc2c1c(NCCCN(C)C)ncn2)c1ccc(cc1)OC

STK592468
Synonyms: N,N- dimethyl- N'- (2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- yl)propane- 1,3- diamine
Smiles: CN(CCCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C)C

STK592470
Synonyms: 5- butyl- 2- (3,4- dihydroisoquinolin- 2(1H)- yl)pyrimidine- 4,6- diol
Smiles: CCCCc1c(O)nc(nc1O)N1CCc2c(C1)cccc2

STK592472
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- (2- hydroxyethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK592473
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(c(c1)C)C)O

STK592474
Synonyms: N- (2,4- difluorophenyl)- 4- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: O=C(Nc1ccc(cc1F)F)CCCn1nnc2c(c1=O)cccc2

STK592475
Synonyms: 6- chloro- N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 7- methyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK592479
Synonyms: 4- ethyl- 9- (2- methoxyethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: COCCN1COc2c(C1)c1oc(=O)cc(c1cc2)CC

STK851744
Synonyms: (2Z)- 3- [(5- fluoro- 2- methylphenyl)amino]- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/Nc1cc(F)ccc1C)/c1scc(n1)c1cc2ccccc2oc1=O

STK592480
Synonyms: 4- (2- bromo- 4- methylphenyl)- 5- [3- (furan- 2- yl)- 1H- pyrazol- 5- yl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(c(c1)Br)n1c(=S)[nH]nc1c1[nH]nc(c1)c1ccco1

STK592481
Synonyms: N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]thiophene- 2- carboxamide
Smiles: Oc1cc(NC(=O)c2cccs2)n2c(n1)nc(n2)CCc1ccccc1

STK592483
Synonyms: 7- bromo- 1- (3- methoxyphenyl)- 2- (4- methylpyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK592484
Synonyms: (4E)- 2- (2,3- dichlorophenyl)- 4- {[(2- hydroxyethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1Cl)Cl

STK592485
Synonyms: 4- {[(2Z)- 5,5- dioxido- 3- [4- (trifluoromethoxy)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 4- oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK592489
Synonyms: N~5~- carbamoyl- N~2~- [(2S)- 3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanoyl]- L- ornithine
Smiles: NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C(C)C

STK592490
Synonyms: 2- [(2- oxo- 4- propyl- 2H- chromen- 7- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: CCCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1cccnc1

STK851746
Synonyms: 2,4- dichloro- N- [(2E)- 6- (methylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK592495
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK592496
Synonyms: 5- (4- fluorophenyl)- 4- {[(1E,2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/C=C/c1ccco1

STK592497
Synonyms: 1- [10- (furan- 2- yl)- 8- methyl- 2- (phenoxymethyl)- 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)COc1ccccc1

STK592500
Synonyms: (5Z)- 3- (3- methoxypropyl)- 5- ({3- [2- methyl- 4- (propan- 2- yloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STK851747
Synonyms: 2- {2- [(2- methyl- 3- phenyl- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazolin- 9- yl)amino]ethoxy}ethanol
Smiles: OCCOCCNc1c2CCCCc2nc2n1nc(c2c1ccccc1)C

STK592509
Synonyms: 2- amino- 4- (3,4- dichlorophenyl)- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cl)Cl)c(O)nc(c2)C

STK592511
Synonyms: 1- benzyl- 5- (3,4- dimethoxybenzyl)- 2,6- dihydroxypyrimidin- 4(1H)- one
Smiles: COc1cc(ccc1OC)Cc1c(=O)nc(n(c1O)Cc1ccccc1)O

STK592513
Synonyms: 1- (3- chlorophenyl)- 2- hydroxy- 6- (propan- 2- yl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1cccc(c1)n1c(O)nc(=O)c2c1NCN(C2)C(C)C

STK592514
Synonyms: 10- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]- 1,3- dimethyl- 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: C=CCc1cccc(c1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK592519
Synonyms: 1- (3- ethoxy- 4- hydroxyphenyl)- 2- (4- fluorobenzyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592521
Synonyms: N- {3- [(furan- 2- ylmethyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2

STK592525
Synonyms: 5- (2,3- dimethoxyphenyl)- 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1c(OC)cccc1C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK592532
Synonyms: 3- (4- chlorophenyl)- 7,8,8a,9- tetrahydropyrrolo[1,2- a]thieno[2,3- d]pyrimidin- 4(6H)- one
Smiles: Clc1ccc(cc1)c1csc2c1C(=O)N1C(N2)CCC1

STK592533
Synonyms: (3R)- N- {(2S)- 1- [(4- fluorobenzyl)amino]- 1- oxopropan- 2- yl}- 2,2- dimethyl- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK851754
Synonyms: ethyl(7- hydroxy- 2- methylpyrazolo[1,5- a]pyrimidin- 5- yl)acetate
Smiles: CCOC(=O)Cc1cc(O)n2c(n1)cc(n2)C

STK592538
Synonyms: 2- (biphenyl- 4- yl)- 7- methyl- 5- oxo- 3,5- dihydroindolizine- 6- carbonitrile
Smiles: N#Cc1c(C)cc2n(c1=O)CC(=C2)c1ccc(cc1)c1ccccc1

STK851755
Synonyms: N- [3- (morpholin- 4- yl)propyl]- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCCN2CCOCC2)n2c(n1)c(cn2)c1ccccc1)C

STK592539
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)pyrimidin- 4- yl]- 5- [(4- ethenylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1)C=C)N

STK851756
Synonyms: ethyl4- (furan- 2- yl)- 6- hydroxy- 2- (piperidin- 1- yl)- 4,5- dihydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1C(=NC(=NC1c1ccco1)N1CCCCC1)O

STK592540
Synonyms: 5,6- dimethyl- N- [3- (morpholin- 4- yl)propyl]- 7- (pyridin- 3- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c(C)n(c2c1c(NCCCN1CCOCC1)ncn2)c1cccnc1

STK592544
Synonyms: (3R,3'S,5'R)- 5'- benzyl- N- (4- fluorophenyl)- 5- methyl- 2- oxo- 1,2- dihydrospiro[indole- 3,2'- pyrrolidine]- 3'- carboxamide
Smiles: Cc1ccc2c(c1)[C@@]1(N[C@H](C[C@@H]1C(=O)Nc1ccc(cc1)F)Cc1ccccc1)C(=O)N2

STK592548
Synonyms: N- (4- chlorophenyl)- 2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCc1cc(Nc2ccc(cc2)Cl)n2c(n1)c(c1ccccc1)c(n2)C

STK851759
Synonyms: N'- [2- (2,4- dioxo- 1,3- thiazolidin- 5- yl)acetyl]pyridine- 4- carbohydrazide
Smiles: O=C(CC1SC(=O)NC1=O)NNC(=O)c1ccncc1

STK592554
Synonyms: 1- amino- 2- (benzylamino)- 4- [(2- hydroxyethyl)amino]anthracene- 9,10- dione
Smiles: OCCNc1cc(NCc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N

STK592555
Synonyms: N- [(2Z)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccc(cc1)F

STK592557
Synonyms: N~5~- [2- (3,4- dimethoxyphenyl)ethyl]- 7- methyl- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: COc1cc(CCNc2nc3[nH]nc(c3c3c2CN(C)CC3)N)ccc1OC

STK592558
Synonyms: 1- {N- [(2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)acetyl]- L- leucyl}piperidine- 4- carboxylicacid
Smiles: CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)O)NC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2)C

STK592563
Synonyms: 1- (4- methoxyphenyl)- 5- oxo- N- [(2S)- 1- oxo- 1- (1,2,3,4- tetrahydronaphthalen- 1- ylamino)propan- 2- yl]pyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCc2c1cccc2)C

STK592570
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK592580
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)C

STK592582
Synonyms: (2Z)- 2- cyano- N- (3- methoxyphenyl)- 3- (2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)prop- 2- enamide
Smiles: N#C/C(=C/c1ccc2c(c1)CC(O2)C)/C(=O)Nc1cccc(c1)OC

STK592584
Synonyms: 4- {(2E)- 2- [(6- {2- [acetyl(methyl)amino]ethyl}- 4- methoxy- 1,3- benzodioxol- 5- yl)methylidene]hydrazinyl}benzoicacid
Smiles: COc1c(/C=N/Nc2ccc(cc2)C(=O)O)c(CCN(C(=O)C)C)cc2c1OCO2

STK592585
Synonyms: 3- [(3a'S,6a'R)- 5- chloro- 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)Nc2c1cc(Cl)cc2

STK592586
Synonyms: methyl{7- hydroxy- 5- methyl- 2- [(naphthalen- 1- ylmethyl)amino][1,2,4]triazolo[1,5- a]pyrimidin- 6- yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)NCc1cccc2c1cccc2

STK592588
Synonyms: 2,2- bis(trifluoromethyl)- 2,3- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 4(1H)- one
Smiles: O=C1NC(Nc2n1c1ccccc1n2)(C(F)(F)F)C(F)(F)F

STK592589
Synonyms: (3R)- 1,7- dithia- 4- azaspiro[4.4]nonane- 3- carboxylicacid
Smiles: OC(=O)[C@@H]1CSC2(N1)CSCC2

STK592592
Synonyms: (1E)- N- hydroxy- 2- (isoquinolin- 1- yl)cyclohexanimine
Smiles: O/N=C/1\CCCCC1c1nccc2c1cccc2

STK592597
Synonyms: N- [3- (2- fluorophenyl)- 1',3'- dimethyl- 2',4',6'- trioxo- 1',2,3,3',4,4',4a,6'- octahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)c2ccccc2F)C(=O)N(C)C(=O)N(C1=O)C

STK592598
Synonyms: 7- (2- chlorophenyl)- 2- (4- ethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CCc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1Cl

STK851765
Synonyms: ethyl5- (2- amino- 2- oxoethoxy)- 2- (4- methoxyphenyl)- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCC(=O)N)cc2)c1ccc(cc1)OC

STK851766
Synonyms: 4- oxo- N- [2- (phenylcarbamoyl)- 1- benzofuran- 3- yl]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1

STK592600
Synonyms: 5- hydrazinyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1ncn2)CCCC3

STK592604
Synonyms: 8- (2,4- dimethoxyphenyl)- 4- hydroxy- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: COc1cc(OC)ccc1N1CCn2c1nc1c2c(O)nc(=O)n1C

STK592605
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,5- dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK851767
Synonyms: 2- {[4- (4- methoxyphenyl)piperazin- 1- yl]carbonyl}- 7- methyl- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)cc(cc2)C

STK592607
Synonyms: 3- (2- hydroxyethyl)- 5- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: OCCn1cnc2c(c1=O)n(C)c1c2cccc1

STK592608
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1ccc(c(c1)OC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK592610
Synonyms: 1- amino- 4- [(3- fluorophenyl)amino]- 2- [(2- hydroxyethyl)amino]anthracene- 9,10- dione
Smiles: OCCNc1cc(Nc2cccc(c2)F)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK851768
Synonyms: 5- (1,3- benzodioxol- 5- yl)- 4- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2

STK851769
Synonyms: 1- (3- methoxypropyl)- N- (4- methylbenzyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccc(cc1)C

STK592612
Synonyms: 1- [5- hydroxy- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1cc(O)nc2n1nc(n2)COc1ccccc1

STK851770
Synonyms: 3- (2- methoxyethyl)- 8- (3- methoxyphenyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COCCn1c(=O)c2n3c(C)c(n(c3nc2n(c1=O)C)c1cccc(c1)OC)C

STK592616
Synonyms: 2- amino- 1- cyclopentyl- N- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)C1CCCC1

STK592618
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3- [(5E)- 5- (furan- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- methylpropanamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)CCN1C(=S)S/C(=C/c2ccco2)/C1=O

STK592620
Synonyms: 5- (4- chlorophenyl)- 1,3- dimethyl- 10- [(E)- 2- phenylethenyl]- 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(c3n1CCOC3/C=C/c1ccccc1)n(C)c(=O)n(c2=O)C

STK592621
Synonyms: 4- {[(E)- (4- methylphenyl)methylidene]amino}- 5- [3- (propan- 2- yloxy)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C)C

STK592624
Synonyms: (4E)- 2- phenyl- 4- [(pyrimidin- 2- ylamino)methylidene]isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1/C(=C/Nc2ncccn2)/c2ccccc2C(=O)N1c1ccccc1

STK592625
Synonyms: (2R)- 2- amino- 3- methyl- N'- [(E)- quinolin- 6- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC([C@H](C(=O)N/N=C/c1ccc2c(c1)cccn2)N)C

STK592626
Synonyms: (5Z)- 3- (2- methoxyethyl)- 5- ({3- [2- methyl- 4- (2- methylpropoxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC(C)C)c2ccccc2)/C1=O

STK592627
Synonyms: 2- methyl- 8- [4- (2- methylprop- 2- en- 1- yl)piperazin- 1- yl]- 3- phenyl- 6,7- dihydro- 5H- cyclopenta[d]pyrazolo[1,5- a]pyrimidine
Smiles: CC(=C)CN1CCN(CC1)c1c2CCCc2nc2n1nc(c2c1ccccc1)C

STK851772
Synonyms: 6,7- dimethyl- 4- oxo- N- (4- sulfamoylphenyl)- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)C)C)Nc1ccc(cc1)S(=O)(=O)N

STK592630
Synonyms: 5- ({[(5Z)- 5- (2- chlorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O)Nc1ccc(c(c1)C(=O)O)O

STK592636
Synonyms: methylN- {[5- (4- hydroxyphthalazin- 1- yl)- 2- methylphenyl]carbamoyl}- L- leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1cc(ccc1C)c1nnc(c2c1cccc2)O)CC(C)C

STK592639
Synonyms: 2- {(1E)- 5- fluoro- 2- methyl- 1- [4- (methylsulfinyl)benzylidene]- 1H- inden- 3- yl}- N- (furan- 2- ylmethyl)acetamide
Smiles: O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)NCc1ccco1

STK851775
Synonyms: 8- (4- fluorophenyl)- 3- (3- hydroxypropyl)- 1,7- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccc(cc1)F)C

STK851776
Synonyms: N- (3- chloro- 4- fluorophenyl)- 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)Nc1ccc(c(c1)Cl)F

STK592644
Synonyms: (E)- 1- (3,4- dimethoxyphenyl)- 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: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)sc3c2CCC(C3)C)ccc1OC

STK592645
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK592653
Synonyms: 2,12- di(pyridin- 3- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1cccnc1

STK592654
Synonyms: 2- (furan- 2- ylmethyl)- 1- (4- hydroxy- 3- methoxyphenyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK592655
Synonyms: 1- (1- hydroxy- 3- methyl- 11- phenyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl)ethanone
Smiles: CC1CC(=C2C(=Nc3ccccc3N(C2c2ccccc2)C(=O)C)C1)O

STK592658
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- phenoxyacetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccccc2)/s1

STK592659
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 3,6- dimethyl- 1- benzofuran- 2- carboxamide
Smiles: Cc1ccc2c(c1)oc(c2C)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK851779
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- chloro- 2- nitrobenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])C(=O)/N=c/1\sc2c([nH]1)cccc2

STK592663
Synonyms: N- [3- (1,3- benzodioxol- 5- yl)- 6- chloro- 4- oxo- 4H- chromen- 2- yl]benzamide
Smiles: Clc1ccc2c(c1)c(=O)c(c(o2)NC(=O)c1ccccc1)c1ccc2c(c1)OCO2

STK851781
Synonyms: 3- (2- chlorophenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1cc(O)n2c(n1)c(c(n2)C)c1ccccc1Cl

STK592668
Synonyms: 2- [5- (4- methoxyphenyl)pyrimidin- 4- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cncnc1c1ccc(cc1O)OCc1ccc(cc1)C

STK592671
Synonyms: 2- [2- (3,4- dimethoxyphenyl)ethyl]- 5,7- dimethyl- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)c(C)cc(c1)C

STK592672
Synonyms: (3,5- dichlorophenyl)(6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1cc(Cl)cc(c1)Cl

STK851782
Synonyms: methyl{2- [(4- chlorobenzyl)amino]- 5- methyl- 7- oxo- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 6- yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1=O)nc([nH]2)NCc1ccc(cc1)Cl

STK592676
Synonyms: 4- amino- 3- methyl- N- [3- (propan- 2- yloxy)propyl]- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: CC(OCCCNC(=O)c1sc(=S)n(c1N)C)C

STK592678
Synonyms: N- [4- (4- acetylpiperazin- 1- yl)phenyl]- 5- methoxy- 3- methyl- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C

STK592684
Synonyms: 11- (2- chlorophenyl)- 10- methyl- 8- phenyl- 2- (pyridin- 4- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Clc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccncc1)c1ccccc1

STK592694
Synonyms: 7- [3- (dimethylamino)propyl]- N- (2- methoxyphenyl)- 5,6- dimethyl- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccccc1Nc1ncnc2c1c(C)c(n2CCCN(C)C)C

STK592695
Synonyms: 1- [2- (2- chlorophenyl)- 10- (furan- 2- yl)- 8- methyl- 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)c1ccccc1Cl

STK592697
Synonyms: N- [(4- acetylphenyl)carbamoyl]- L- alanine
Smiles: O=C(N[C@H](C(=O)O)C)Nc1ccc(cc1)C(=O)C

STK592699
Synonyms: 8- (4- chlorophenyl)- 4- hydroxy- 1- methyl- 7- phenyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Clc1ccc(cc1)n1c(cn2c1nc1c2c(O)nc(=O)n1C)c1ccccc1

STK592703
Synonyms: N- (5- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 3- methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1

STK592704
Synonyms: (2S)- N- (3- bromophenyl)- 2- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: Brc1cccc(c1)NC(=O)[C@@H](n1cnc2c(c1=O)cccc2)C

STK592705
Synonyms: 3- (3- chlorophenyl)- 3,4- dihydro- 2H- dibenzo[b,e][1,4]diazepin- 1- ol
Smiles: Clc1cccc(c1)C1CC(=C2C(=Nc3ccccc3N=C2)C1)O

STK851784
Synonyms: N- (2- methoxyethyl)- 2,5- dimethyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COCCNc1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK592713
Synonyms: (5E)- 5- [(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 3- (1- phenylethyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CC1Oc2c(C1)cc(cc2)/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C

STK851787
Synonyms: 5- methyl- 3- phenyl- N- (pyridin- 3- ylmethyl)- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Cc1cc(NCc2cccnc2)n2c(n1)c(c1ccccc1)c(n2)C(F)(F)F

STK592715
Synonyms: 5- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 2,7- dimethyl- N- (pyridin- 2- yl)- 4,6,7,8- tetrahydroquinoline- 3- carboxamide
Smiles: COc1cc(ccc1O)C1C(=C(C)N=C2C1=C(O)CC(C2)C)C(=O)Nc1ccccn1

STK592721
Synonyms: 5- benzyl- 2- (3,4- dihydroisoquinolin- 2(1H)- yl)pyrimidine- 4,6- diol
Smiles: Oc1nc(nc(c1Cc1ccccc1)O)N1CCc2c(C1)cccc2

STK592728
Synonyms: 4- chloro- N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(O)nc2n1nc(n2)CCc1ccccc1

STK592729
Synonyms: 6- chloro- 5- methyl- 2- (phenoxymethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nc2nc(nn2c(c1Cl)O)COc1ccccc1

STK592732
Synonyms: 5- (4- fluorophenyl)- 3- (2- hydroxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1O

STK592737
Synonyms: 5- (4- bromophenyl)- 3- hydroxy- 1- (2- hydroxyethyl)- 4- [(1E)- N- (4- methoxyphenyl)ethanimidoyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: OCCN1C(c2ccc(cc2)Br)C(=C(C1=O)O)/C(=N/c1ccc(cc1)OC)/C

STK592738
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- {3- [(2- methoxyethyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}- 1H- pyrazole- 3- carboxamide
Smiles: COCCNC(=O)c1c(NC(=O)c2n[nH]c(c2)c2cc(C)ccc2O)sc2c1CCCC2

STK592748
Synonyms: 1- (4- hydroxyphenyl)- 3- methyl- 1H- pyrrole- 2,5- dione
Smiles: Oc1ccc(cc1)N1C(=O)C=C(C1=O)C

STK592755
Synonyms: 7- methyl- 6- (3- {[2- (propan- 2- yloxy)benzyl]oxy}propyl)- 6H- indolo[2,3- b]quinoxaline
Smiles: CC(Oc1ccccc1COCCCn1c2nc3ccccc3nc2c2c1c(C)ccc2)C

STK851795
Synonyms: 3- (2,4- dimethoxyphenyl)- 8- (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(cc1)C)c1ccc(cc1OC)OC

STK592756
Synonyms: 5,6- di(furan- 2- yl)- N- [3- (morpholin- 4- yl)propyl]furo[2,3- d]pyrimidin- 4- amine
Smiles: O1CCN(CC1)CCCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK851798
Synonyms: 6'- amino- 3',5- dimethyl- 2- oxo- 1'- phenyl- 1,2- dihydro- 1'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31C(=O)Nc1c3cc(C)cc1)c(C)nn2c1ccccc1

STK592765
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (2,4,6- trimethylphenoxy)acetamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1c(C)cc(cc1C)C

STK592767
Synonyms: (2S)- N- (1H- benzimidazol- 2- yl)- 3- methyl- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1nc2c([nH]1)cccc2)C

STK592770
Synonyms: 12'- methyl- 1- phenyl- 15',16'- dihydro- 3H,4b'H,5H,6'H,7'H- spiro[pyrazolidine- 4,5'- pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline]- 3,5,7'- trione
Smiles: O=c1c2CC3(C(=O)NN(C3=O)c3ccccc3)C3N(c2nc2n1cccc2C)CCc1c3cccc1

STK592771
Synonyms: 2- [2- amino- 5- (4- methoxyphenyl)pyrimidin- 4- yl]- 5- [(3,4- dichlorobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1cnc(nc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl)N

STK592772
Synonyms: 2- ({5- [(1S)- 1- amino- 2- methylpropyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (3- chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(o1)[C@H](C(C)C)N

STK592779
Synonyms: 2- [(2- chlorobenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Clc1ccccc1CNc1[nH]c2n(n1)c(=O)c(c(n2)C)C

STK592780
Synonyms: 2- [(4- ethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 4- ylmethyl)acetamide
Smiles: CCc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc1ccncc1

STK592783
Synonyms: N- (3- chloro- 4- methylphenyl)- 5- hydroxy- 2- oxo- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: O=C1N=C2CCCC(=C2C(C1)C(=O)Nc1ccc(c(c1)Cl)C)O

STK592788
Synonyms: 3- hydroxy- 2- [(2E)- 2- (1- phenylethylidene)hydrazinyl]quinazolin- 4(3H)- one
Smiles: C/C(=N\Nc1nc2ccccc2c(=O)n1O)/c1ccccc1

STK851801
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2,8,10- trimethylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: Cc1cc(NCCC2=CCCCC2)n2c(n1)c1c(C)cc(nc1n2)C

STK592792
Synonyms:
Smiles: CCC([C@@H](C(=O)NCCC(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK592794
Synonyms: 1- [2- (2,4- dichlorophenyl)- 10- (furan- 2- yl)- 8- methyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK592799
Synonyms: methyl{2- [(2,4- dichlorobenzyl)amino]- 5- methyl- 7- oxo- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 6- yl}acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1=O)nc([nH]2)NCc1ccc(cc1Cl)Cl

STK592800
Synonyms: 8- {[benzyl(methyl)ammonio]methyl}- 3- (4- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: COc1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](Cc1ccccc1)C)[O-]

STK851802
Synonyms: 3- (2- amino- 4,10- dihydro[1,3,5]triazino[1,2- a]benzimidazol- 4- yl)phenol
Smiles: Oc1cccc(c1)C1N=C(N)N=c2n1c1ccccc1[nH]2

STK592811
Synonyms: 2- {(E)- [1- (2- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}- N- phenylhydrazinecarbothioamide
Smiles: COc1ccccc1N1C(=NC(=O)/C(=C\NNC(=S)Nc2ccccc2)/C1=O)S

STK851804
Synonyms: 1- benzyl- N- (4- methylphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK592829
Synonyms: N- benzyl- 2- (3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)NCc1ccccc1

STK851806
Synonyms: 6- ethoxy- 3- (4- fluorophenyl)- 3a,5,5- trimethyl- 3,3a,4,5- tetrahydrocyclopenta[de]quinazolin- 2- ol
Smiles: CCOc1ccc2c3c1C(C)(C)CC3(C)N(C(=N2)O)c1ccc(cc1)F

STK592834
Synonyms: methylN- {(E)- [2- hydroxy- 4,6- dioxo- 1- (2- phenylethyl)- 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)CCc1ccccc1)O

STK592837
Synonyms: (4Z)- 4- (1,3- benzodioxol- 5- ylmethylidene)- 2- methyl- 4H- imidazol- 5- ol
Smiles: CC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=N1)O

STK592838
Synonyms: (1R,2S)- 2- [benzyl(2- phenylethyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)CCc1ccccc1

STK592842
Synonyms: 5- (2- hydroxyphenyl)- N- {4- [(4- methylpyrimidin- 2- yl)sulfamoyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK592848
Synonyms: N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (tetrahydrofuran- 2- ylmethyl)benzenesulfonamide
Smiles: O=c1[nH]c2c(cc1CN(S(=O)(=O)c1ccccc1)CC1CCCO1)cccc2C

STK851807
Synonyms: (5E)- 3- (4- fluorobenzyl)- 6- hydroxy- 5- (4- hydroxy- 3- methoxybenzylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1cc(ccc1O)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O

STK592850
Synonyms: (5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)(1,4- dioxa- 8- azaspiro[4.5]dec- 8- yl)methanone
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)N1CCC2(CC1)OCCO2

STK592854
Synonyms: methylN- {[2- methyl- 5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)phenyl]carbamoyl}- L- methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Nc1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2

STK592856
Synonyms: N- [5- (4- bromophenyl)- 7- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]methanesulfonamide
Smiles: Brc1ccc(cc1)C1=CC(n2c(=N1)[nH]c(n2)NS(=O)(=O)C)c1ccccc1

STK851808
Synonyms: prop- 2- en- 1- yl{[3- (3- methoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}acetate
Smiles: C=CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1cccc(c1)OC)C(F)(F)F

STK592858
Synonyms: (5E)- 5- [1- (azepan- 1- ylamino)ethylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NN2CCCCCC2)/C)/C(=O)N1c1ccccc1C

STK592860
Synonyms: S- methyl- N- [3- (2,3,5- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]- L- cysteinyl- S- benzyl- L- cysteine
Smiles: CSC[C@@H](C(=O)N[C@H](C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK592861
Synonyms: 2- [5- (4- methoxyphenyl)- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c(ncnc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1C

STK592862
Synonyms: 4- {[(1E,2E)- 3- (2- methoxyphenyl)prop- 2- en- 1- ylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1ccccn1

STK592868
Synonyms: 8- bromo- 7- ethyl- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCn1c(Br)nc2c1c(O)nc(=O)n2C

STK851811
Synonyms: N- benzyl- 1,7- dimethyl- 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)NCc1ccccc1)C

STK592872
Synonyms: 2- [4- (2- methoxyphenyl)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK592878
Synonyms: (2Z)- 6- [2- (4- chlorophenyl)- 2- oxoethoxy]- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]- 1- benzofuran- 3(2H)- one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O

STK592880
Synonyms: N- {2- [(3- fluoro- 4- methylphenyl)carbonyl]- 1- benzofuran- 3- yl}- 6,8- dimethyl- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccc(c(c1)F)C

STK851814
Synonyms: N- (4- tert- butylbenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 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)Cc1ccc(cc1)C(C)(C)C

STK592883
Synonyms: 5- tert- butyl- 2- methyl- N- (3- methylbutyl)- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(CCNc1cc(nc2n1nc(c2c1ccccc1)C)C(C)(C)C)C

STK592887
Synonyms: methyl4- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1ccc(cc1)F

STK592893
Synonyms: N- (6- fluoro- 1,3- benzothiazol- 2- yl)- 5- (2- hydroxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Fc1ccc2c(c1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK592896
Synonyms: 2- [(5E)- 5- (3,4- dihydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 3- methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C/c2ccc(c(c2)O)O)/C1=O)C(=O)O)C

STK592897
Synonyms: 1- [10- (furan- 2- yl)- 2,8- dimethyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: Cc1nn2c(n1)c1c(nc2)OC(=C(C1c1ccco1)C(=O)C)C

STK851816
Synonyms: N- [(2E)- 6- (diethylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 3- carboxamide
Smiles: CCN(S(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cccnc1)/[nH]2)CC

STK592900
Synonyms: (1Z)- 3- (4- tert- butylphenoxy)- 1- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)butan- 2- one
Smiles: O=C(C(Oc1ccc(cc1)C(C)(C)C)C)/C=C/1\NCCc2c1cc1OCOc1c2

STK592901
Synonyms: ethyl2- [(6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)methyl]- 5- methyl- 4- oxo- 3,4,4a,7a- tetrahydrothieno[2,3- d]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)C2C(S1)N=C(NC2=O)CN1CCc2c(C1)cc(c(c2)OC)OC

STK592903
Synonyms: 1- (3- hydroxyphenyl)- 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)c(C)cc(c1)C

STK592906
Synonyms: (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)(3- methylthiophen- 2- yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1sccc1C

STK592910
Synonyms: N- butyl- 5,6- dimethoxy- N- (thiophen- 2- ylmethyl)- 1H- indole- 2- carboxamide
Smiles: CCCCN(C(=O)c1cc2c([nH]1)cc(c(c2)OC)OC)Cc1cccs1

STK592922
Synonyms: N- {[6- chloro- 8- (trifluoromethyl)[1,2,4]triazolo[4,3- a]pyridin- 3- yl]methyl}thiophene- 2- carboxamide
Smiles: Clc1cc(c2n(c1)c(CNC(=O)c1cccs1)nn2)C(F)(F)F

STK592923
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- N- (4- ethoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCOc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK592926
Synonyms: 4- (5- {(E)- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]methyl}furan- 2- yl)benzenesulfonamide
Smiles: O=C(c1ccncc1)N/N=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N

STK592928
Synonyms: N- [(3,5- dimethylpiperidin- 1- yl)carbonyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)N1CC(C)CC(C1)C)C

STK592931
Synonyms: (5Z)- 3- (4- chlorobenzyl)- 2- hydroxy- 5- ({1- [2- (morpholin- 4- yl)- 2- oxoethyl]- 1H- indol- 3- yl}methylidene)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Clc1ccc(cc1)CN1C(=N/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C1=O)O

STK592933
Synonyms: 7- (3,5- difluorophenyl)- 2- ethyl- 5- (furan- 2- yl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CCc1nn2c(=NC(=CC2c2cc(F)cc(c2)F)c2ccco2)[nH]1

STK592935
Synonyms: N- [1- methyl- 3- (naphthalen- 1- yl)- 4- oxo- 1,4- dihydroquinolin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1c(c(=O)c2c(n1C)cccc2)c1cccc2c1cccc2

STK592937
Synonyms: N- (2- carbamoylphenyl)- 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)Nc1ccccc1C(=O)N

STK851822
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)- 6- methylpyrimidin- 4- yl]- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccc(c(c1)OC)OC)C

STK592938
Synonyms: 9- (3,5- difluorophenyl)- 6- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)ncn3)C1)O

STK851824
Synonyms: 2- (3- hydroxy- 2H- 1,4- benzothiazin- 2- yl)- N- (4- methoxybenzyl)acetamide
Smiles: COc1ccc(cc1)CNC(=O)CC1Sc2ccccc2N=C1O

STK592954
Synonyms: 4- [(4- benzylpiperazin- 1- yl)methyl]- 6- chloro- 5,7- dimethyl- 2H- chromen- 2- one
Smiles: O=c1cc(CN2CCN(CC2)Cc2ccccc2)c2c(o1)cc(c(c2C)Cl)C

STK592955
Synonyms: 2- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 3- hydroxyquinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C=N/Nc1nc2ccccc2c(=O)n1O

STK592960
Synonyms: 2- methyl- 3,9- diphenyl- 5,6,7,9- tetrahydropyrazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccccc2)nc(c3c2ccccc2)C)CCC1

STK592961
Synonyms: N- (2,6- dimethylphenyl)- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)O)c1[nH]nc(c1)C(=O)Nc1c(C)cccc1C

STK592962
Synonyms: 4- {[({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)NCC1CCC(CC1)C(=O)O

STK851826
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1- ethyl- 3- nitroquinolin- 2(1H)- one
Smiles: CCn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK851827
Synonyms: 3- phenyl- 7- (4- phenylpiperazin- 1- yl)- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CC(c1cc(N2CCN(CC2)c2ccccc2)n2c(n1)c(cn2)c1ccccc1)C

STK592964
Synonyms: (3aR,6aS)- 5- cyclohexyl- 3- (2,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)C1CCCCC1

STK592965
Synonyms: N- [(3- hydroxyquinoxalin- 2- yl)(phenyl)methyl]- N- phenylacetamide
Smiles: Oc1nc2ccccc2nc1C(N(c1ccccc1)C(=O)C)c1ccccc1

STK592966
Synonyms: 3- [(3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 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: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK592973
Synonyms: 3- (2- hydroxyphenoxy)- N- [3- (2- methoxyphenyl)- 3- methylpentyl]propanamide
Smiles: COc1ccccc1C(CCNC(=O)CCOc1ccccc1O)(CC)C

STK851833
Synonyms: 3- (4- methoxyphenyl)- 7- [(2- methylprop- 2- en- 1- yl)oxy]- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)OCC(=C)C

STK592977
Synonyms: N- [(3- oxo- 2- phenyl- 2,3- dihydro- 1H- isoindol- 4- yl)carbonyl]- L- alanine
Smiles: C[C@@H](C(=O)O)NC(=O)c1cccc2c1C(=O)N(C2)c1ccccc1

STK851834
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(3- chlorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1cccc(c1)Cl)N

STK592979
Synonyms: 2- (5- methoxy- 1,3- benzothiazol- 2- yl)- 1- oxo- 1,2,3,6,7,7a- hexahydro- 3a,6- epoxyisoindole- 7- carboxylicacid
Smiles: COc1ccc2c(c1)nc(s2)N1CC23C(C1=O)C(C(O3)C=C2)C(=O)O

STK851836
Synonyms: 1,7- dimethyl- 8- (2- methylphenyl)- 3- (2- methylpropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1C)C)C

STK592980
Synonyms: (5Z)- 5- (2- fluorobenzylidene)- 3- {2- [2- (2- hydroxyethyl)piperidin- 1- yl]- 2- oxoethyl}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: OCCC1CCCCN1C(=O)CN1C(=S)S/C(=C\c2ccccc2F)/C1=O

STK592985
Synonyms: 4- [(2E)- 2- (5- cyano- 6- hydroxy- 4- methyl- 2- oxopyridin- 3(2H)- ylidene)hydrazinyl]benzoicacid
Smiles: N#CC1=C(C)/C(=N\Nc2ccc(cc2)C(=O)O)/C(=O)N=C1O

STK851837
Synonyms: 4- (4- fluorophenyl)- 8- methyl- 2- [(4- methylphenyl)amino]- 4,9- dihydro- 6H- pyrimido[1,2- a][1,3,5]triazin- 6- one
Smiles: Cc1ccc(cc1)NC1=NC(n2c(=N1)[nH]c(C)cc2=O)c1ccc(cc1)F

STK851838
Synonyms: 4- (2- fluorophenyl)- 5- (furan- 2- ylmethyl)- 3- (2- hydroxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: O=C1N(Cc2ccco2)C(c2c1n[nH]c2c1ccccc1O)c1ccccc1F

STK592993
Synonyms: {[(2Z)- 2- (4- chlorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)Cl)/C2=O

STK851840
Synonyms: 6- (2,4- dimethoxyphenyl)- N- (2,5- dimethylphenyl)- 2- hydroxy- 4- methyl- 1,6- dihydropyrimidine- 5- carboxamide
Smiles: COc1cc(OC)ccc1C1NC(=NC(=C1C(=O)Nc1cc(C)ccc1C)C)O

STK592996
Synonyms: 7- (4- ethylpiperazin- 1- yl)- 2,5- dimethyl- 3- (4- methylphenyl)pyrazolo[1,5- a]pyrimidine
Smiles: CCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(cc1)C)C

STK851841
Synonyms: 6- chloro- 4- oxo- N- (4- sulfamoylbenzyl)- 4H- chromene- 2- carboxamide
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)C(=O)NCc1ccc(cc1)S(=O)(=O)N

STK592999
Synonyms: 5- chloro- N- [(1- ethylpyrrolidin- 2- yl)methyl]- 1H- indole- 2- carboxamide
Smiles: CCN1CCCC1CNC(=O)c1cc2c([nH]1)ccc(c2)Cl

STK593001
Synonyms: 1- (2- fluorophenyl)- 5,7- dimethyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cc(C)c2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1F)Cc1cccnc1

STK593004
Synonyms: 2- hydroxy- N'- [(E)- (2- hydroxy- 7- methoxyquinolin- 3- yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)c1ccccc1O)O

STK851842
Synonyms: 7- (2,5- dimethylphenyl)- 2- (4- methoxyphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1cc(C)ccc1C

STK593010
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- [2- (phenylcarbonyl)- 1- benzofuran- 3- yl]- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1c(oc2c1cccc2)C(=O)c1ccccc1)O

STK851843
Synonyms: (2Z)- 2- (3,4- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylbenzenesulfonate
Smiles: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccccc1

STK593013
Synonyms: 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- propyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK593014
Synonyms: N- (5- bromopyridin- 2- yl)- 5,6- dimethyl- 7- (pyridin- 3- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Brc1ccc(nc1)Nc1ncnc2c1c(C)c(n2c1cccnc1)C

STK851844
Synonyms: 8- (2- chloro- 6- fluorophenyl)- 3- (furan- 2- ylmethyl)- 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)CC1c1c(F)cccc1Cl)Cc1ccco1

STK593019
Synonyms: 2- hydroxy- 5- ({[(5Z)- 5- (4- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]acetyl}amino)benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)Nc1ccc(c(c1)C(=O)O)O

STK851846
Synonyms: 1- benzyl- N- (2,4- dimethoxyphenyl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK593022
Synonyms: (1S,2S)- N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(cc1)O

STK851849
Synonyms: N- [4- (diethylamino)benzyl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CCN(c1ccc(cc1)CN(C(=O)c1cc(=O)c2c(o1)cccc2)C1CCS(=O)(=O)C1)CC

STK593023
Synonyms: (5E)- 5- {[2,5- dimethyl- 1- (pyridin- 2- yl)- 1H- pyrrol- 3- yl]methylidene}- 2- hydroxy- 3- (4- methylbenzyl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C/c2cc(n(c2C)c2ccccn2)C)/C1=O)O

STK593032
Synonyms: 2- (7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- [3- (1H- imidazol- 1- yl)propyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2)O)NCCCn1cncc1

STK593034
Synonyms: (E)- 1- (2- chlorophenyl)- N- [(10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: Clc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK593035
Synonyms: (2E,5Z)- 2- {[4- chloro- 2- (trifluoromethyl)phenyl]imino}- 5- (1H- indol- 3- ylmethylidene)- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Clc1ccc(c(c1)C(F)(F)F)/N=C\1/S/C(=C\c2c[nH]c3c2cccc3)/C(=N1)O

STK593040
Synonyms: 2,10- dimethyl- 8,11- diphenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)c(C)nn2c1ccccc1

STK593041
Synonyms: 4- amino- N- (1,3- benzodioxol- 5- ylmethyl)- 3- (4- methoxyphenyl)- 2- thioxo- 2,3- dihydro- 1,3- thiazole- 5- carboxamide
Smiles: COc1ccc(cc1)n1c(=S)sc(c1N)C(=O)NCc1ccc2c(c1)OCO2

STK593044
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)C

STK593046
Synonyms: 5- bromo- 4- hydroxy- 1- (tetrahydrofuran- 2- yl)pyrimidin- 2(1H)- one
Smiles: Oc1nc(=O)n(cc1Br)C1CCCO1

STK593048
Synonyms: 8- (4- benzylpiperidin- 1- yl)- 6- hydroxy- 7- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)O

STK593049
Synonyms: 8- ethoxy- N- [3- (4- methylpiperazin- 1- yl)propyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCCCN1CCN(CC1)C

STK593055
Synonyms: 7- (2- methylphenyl)- 3- (3- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cccc(c1)c1nnc2n1cnc1c2cnn1c1ccccc1C

STK593057
Synonyms: N- (2,1,3- benzoxadiazol- 4- yl)- 2- [(5Z)- 5- benzylidene- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetamide
Smiles: O=C(Nc1cccc2c1non2)CN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK593059
Synonyms: 4- (5- {(E)- [2- (5H- [1,2,4]triazino[5,6- b]indol- 3- yl)hydrazinylidene]methyl}furan- 2- yl)benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)c1ccc(o1)/C=N/Nc1nnc2c(n1)[nH]c1c2cccc1

STK593062
Synonyms: 7- methyl- N~5~- (tetrahydrofuran- 2- ylmethyl)- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: CN1CCc2c(C1)c(NCC1CCCO1)nc1c2c(N)n[nH]1

STK851853
Synonyms: N'- [(1E)- 1- (4- fluorophenyl)ethylidene]- 5- (propan- 2- yl)- 1H- pyrazole- 3- carbohydrazide
Smiles: Fc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)C(C)C)/C

STK593065
Synonyms: methyl2- hydroxy- 4- oxo- 3- phenyl- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: COC(=O)c1ccc2c(c1)nc(n(c2=O)c1ccccc1)O

STK851855
Synonyms: 4- oxo- N- [4- (piperidin- 1- ylsulfonyl)phenyl]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK593069
Synonyms: 3- [4- (methoxycarbonyl)phenoxy]- 8- [(4- methylpiperazin- 1- ium- 1- yl)methyl]- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: COC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCN(CC1)C)[O-]

STK593073
Synonyms: 2- [4- (dimethylamino)phenyl]- 4- imino- 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(cc1)N(C)C

STK593076
Synonyms: 4- {[(3Z)- 6- methyl- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoicacid
Smiles: CCCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1ccc(cc1c2)C

STK593078
Synonyms: 2- methoxy- N- (5- methyl- 7- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: COCC(=O)Nc1nn2c(n1)NC(CC2c1ccccc1)C

STK593079
Synonyms: 7- hydroxy- 1- methyl- 2- (methylsulfanyl)- 5- (2,3,4- trimethoxyphenyl)- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1c(ccc(c1OC)OC)C1CC(=Nc2c1c(=O)nc(n2C)SC)O

STK593081
Synonyms: 2- [(3- benzyl- 4,8- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NCc1cccnc1

STK593082
Synonyms: 1- (3- ethoxyphenyl)- 5,7- dimethyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK851856
Synonyms: (5Z)- 5- (1H- benzimidazol- 2- ylmethylidene)- 3- cyclopentyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2nc3c([nH]2)cccc3)/C(=O)N1C1CCCC1

STK851857
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- 7- (morpholin- 4- yl)pyrazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCOCC1

STK851858
Synonyms: 1- benzyl- 9- methyl- 4- oxo- N- (pyridin- 3- ylmethyl)- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: O=C(c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)NCc1cccnc1

STK593089
Synonyms:
Smiles: CCC([C@H](C(=O)O)NC(=O)NC1CCCCC1C)C

STK851859
Synonyms: N- (2- methoxyethyl)- 5,6- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: COCCNc1c(C)c(C)nc2n1ncc2c1ccccc1

STK593095
Synonyms: 2- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(2- fluorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1F

STK593096
Synonyms: 7- chloro- 1- (4- ethoxyphenyl)- 6- methyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK593098
Synonyms: 4- {[(3Z)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoicacid
Smiles: CC(Cn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1cc(C)ccc1c2)C

STK593099
Synonyms: 2- [(5Z)- 5- (2- fluorobenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [2- (1H- imidazol- 4- yl)ethyl]acetamide
Smiles: O=C(CN1C(=S)S/C(=C\c2ccccc2F)/C1=O)NCCc1c[nH]cn1

STK593100
Synonyms: 7- (2- chlorophenyl)- 3- cyclohexyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1C1CCCCC1

STK593103
Synonyms: 6- hydroxy- 4- (4- hydroxy- 3- methoxyphenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(O)nc2c(c1c1ccc(c(c1)OC)O)c(C)nn2c1ccccc1

STK593104
Synonyms: N- [(1- {[(3S)- 2- (tert- butoxycarbonyl)- 1,2,3,4- tetrahydroisoquinolin- 3- yl]carbonyl}- 4- phenylpiperidin- 4- yl)carbonyl]- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccccc1)C

STK593105
Synonyms: methylN- {[3- (propan- 2- yloxy)propyl]carbamoyl}- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCCOC(C)C

STK593108
Synonyms: 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(O)nc(=O)n2C

STK593111
Synonyms: 2,3- dihydro- 1H- indol- 1- yl(5,6- dimethoxy- 1H- indol- 2- yl)methanone
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)N1CCc2c1cccc2

STK593114
Synonyms: 12- (2- methoxyphenyl)- 2- (pyridin- 4- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: COc1ccccc1C1c2ccc(cc2Oc2c1c1nc(nn1cn2)c1ccncc1)O

STK593116
Synonyms: (3aR,6aS)- 3- (2,5- dimethoxyphenyl)- 5- (4- fluorophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)F)OC

STK851863
Synonyms: N- [(2E)- 4,8- dimethylquinazolin- 2(1H)- ylidene]- 4- methylpyrimidin- 2- amine
Smiles: Cc1ccnc(n1)/N=c\1/nc(C)c2c([nH]1)c(C)ccc2

STK593117
Synonyms: 5- (2- hydroxyphenyl)- 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)c1ccccc1O

STK593120
Synonyms: 1- (3- chlorophenyl)- 2- [2- (3,4- dimethoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c(=O)c1c(o2)c(C)cc(c1)C

STK593124
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)propanamide
Smiles: O=C(CCn1c(C)nc2c1cccc2)NCC1CCCO1

STK851866
Synonyms: 2- methyl- 7- [(4- nitrobenzyl)oxy]- 3- phenyl- 4H- chromen- 4- one
Smiles: Cc1oc2cc(OCc3ccc(cc3)[N+](=O)[O-])ccc2c(=O)c1c1ccccc1

STK593132
Synonyms: 2- amino- N,N- dibutyl- 1,3- benzothiazole- 6- sulfonamide
Smiles: CCCCN(S(=O)(=O)c1ccc2c(c1)sc(n2)N)CCCC

STK851869
Synonyms: methyl6- [(2- amino- 2- oxoethyl)sulfanyl]- 5- cyano- 2- hydroxy- 4- (2- methoxyphenyl)- 3,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccccc1OC)C#N)SCC(=O)N)O

STK593133
Synonyms: N- [2- (dimethylamino)ethyl]- 6- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCN(C)C

STK593135
Synonyms: {3- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- 2,5- dioxopyrrolidin- 1- yl}aceticacid
Smiles: OC(=O)CN1C(=O)CC(C1=O)N1C(=S)S/C(=C\c2ccccc2)/C1=O

STK593141
Synonyms: N- (2,6- dimethylphenyl)- 2- [(1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl)oxy]acetamide
Smiles: O=C(Nc1c(C)cccc1C)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK593143
Synonyms: 4- hydroxy- 3,6,6- trimethyl- N- (pyridin- 3- ylmethyl)- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)NCc1cccnc1

STK593146
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1cc(C)nc(n1)n1[nH]c2c(c1=O)c(O)cc(n2)C

STK593148
Synonyms: methyl6- hydroxy- 2- methyl- 4- {[3- (trifluoromethyl)phenyl]carbamoyl}- 4,5- dihydropyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1cccc(c1)C(F)(F)F)O

STK593149
Synonyms: N- (2- fluorophenyl)- 5- hydroxy- 2- oxo- 2,3,4,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: O=C1N=C2CCCC(=C2C(C1)C(=O)Nc1ccccc1F)O

STK851871
Synonyms: 3- (2- ethoxyphenoxy)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yldimethylcarbamate
Smiles: CCOc1ccccc1Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)OC(=O)N(C)C

STK593150
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (3- chloro- 2- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1cccc(c1C)Cl)O

STK593152
Synonyms: 6- benzyl- 3- (3,4- dimethoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccc(cc1OC)c1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1

STK851873
Synonyms: 2- {[4- (4- methoxyphenyl)piperazin- 1- yl]carbonyl}- 6,8- dimethyl- 4H- chromen- 4- one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(=O)c2c(o1)c(C)cc(c2)C

STK593167
Synonyms: 6- amino- 1,3- dimethyl- 5- (5,6,10,11- tetrahydro- 9H- [1,4]dioxepino[2,3- g]pyrrolo[2,1- a]isoquinolin- 2- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Nc1c(c2cc3n(c2)CCc2c3cc3OCCCOc3c2)c(=O)n(c(=O)n1C)C

STK851875
Synonyms: 3- (1H- benzimidazol- 2- yl)- N- (1- phenylethyl)propanamide
Smiles: O=C(NC(c1ccccc1)C)CCc1nc2c([nH]1)cccc2

STK593174
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)N)c2c(n1)CC(OC2)(C)C

STK593177
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- (7,8- dimethoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NCCC1=CCCCC1

STK593180
Synonyms: N- cycloheptyl- 5,6- dimethylfuro[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c(C)oc2c1c(NC1CCCCCC1)ncn2

STK593182
Synonyms: 1- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 5,7- dimethyl- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1O)Br)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK593183
Synonyms: 2- (4- hydroxy- 3- methoxyphenyl)- 4- imino- 9,10- dimethoxy- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c2ccc(c(c2)OC)O)c(c1=N)C#N

STK593184
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F)C

STK593185
Synonyms: N- [(3- methoxyphenyl)carbamoyl]methionine
Smiles: CSCCC(C(=O)O)NC(=O)Nc1cccc(c1)OC

STK593187
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(ccc1O)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK593188
Synonyms: ethyl1- [(6- methoxy- 1H- indol- 2- yl)carbonyl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c([nH]1)cc(cc2)OC

STK593190
Synonyms: N- (3- chlorophenyl)- 5,7- dimethyl[1,2,4]triazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1nn2c(n1)nc(cc2C)C

STK593191
Synonyms: 2- (2- bromophenyl)- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Brc1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK593193
Synonyms: N- butyl- 4- [(5Z)- 5- (4- ethylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanamide
Smiles: CCCCNC(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

STK593195
Synonyms: N- [(4- sulfamoylphenyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N

STK593200
Synonyms: 2- (3,5- dimethylphenyl)- 4- [(4- methylphenyl)carbonyl]hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Cc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1cc(C)cc(c1)C

STK593206
Synonyms: 3- tert- butyl- 7- (3,5- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Cc1cc(C)cc(c1)n1ncc2c1ncn1c2nnc1C(C)(C)C

STK593208
Synonyms: 2- amino- 5- hydroxy- 4- (2- methoxyphenyl)- 4H- pyrano[3,2- c]quinoline- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)c(O)nc1c2cccc1

STK593209
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: Fc1ccccc1N1CCN(CC1)Cc1[nH]c2c(n1)n(C)c(=O)nc2O

STK593212
Synonyms: 6'- chloro- 1- (2- methoxyethyl)- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: COCCN1C(=O)NC(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CCC1

STK593213
Synonyms: N- [5- hydroxy- 2- (2- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1C

STK593215
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 5- (4- fluorobenzyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK593221
Synonyms: 2- (2- hydroxyethyl)- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK593222
Synonyms: (2Z)- 2- (2- bromobenzylidene)- 6- [(4- bromobenzyl)oxy]- 1- benzofuran- 3(2H)- one
Smiles: Brc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)/C2=O

STK593225
Synonyms: N- [4- (3,4- dimethoxyphenyl)- 1,2,5- oxadiazol- 3- yl]- 2- propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)Nc1nonc1c1ccc(c(c1)OC)OC

STK593230
Synonyms: 3- (4- methylphenyl)- 7- (naphthalen- 2- yl)- 1- oxa- 2,7- diazaspiro[4.4]non- 2- ene- 6,8- dione
Smiles: Cc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK593232
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c([nH]1)cccc2

STK851879
Synonyms: 3- (4- fluorobenzyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Fc1ccc(cc1)Cn1cnc2c(c1=O)c1CCCCc1s2

STK851881
Synonyms: 8- (furan- 2- ylmethyl)- 1,7- dimethyl- 3- (3- methylbutyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)Cc1ccco1)C)C

STK593241
Synonyms: (3S)- N- {(1R)- 2- oxo- 1- phenyl- 2- [(tetrahydrofuran- 2- ylmethyl)amino]ethyl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)NCC1CCCO1

STK593245
Synonyms: 3- (4- methoxyphenyl)- 2- methyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCCc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK593246
Synonyms: 4- {[(3Z)- 1- ethyl- 7- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]amino}- 4- oxobutanoicacid
Smiles: CCn1[nH]/c(=N\C(=O)CCC(=O)O)/c2c1nc1cc(C)ccc1c2

STK593248
Synonyms: 5- {[(4- methylpyrimidin- 2- yl)sulfanyl]methyl}[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1ccnc(n1)SCc1cc(O)n2c(n1)ncn2

STK593250
Synonyms: 5- [({4- [(E)- (2,4- dioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenyl}carbonyl)amino]- 2- hydroxybenzoicacid
Smiles: O=C1NC(=O)/C(=C\c2ccc(cc2)C(=O)Nc2ccc(c(c2)C(=O)O)O)/S1

STK593252
Synonyms: 5- [(2,6- dichlorobenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1,2- oxazol- 5- yl)phenol
Smiles: Oc1cc(ccc1c1onc(c1c1ccccc1)C)OCc1c(Cl)cccc1Cl

STK851884
Synonyms: 2- [4- (4- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: COc1ccc(cc1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCC(=C)C

STK593259
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- (methoxymethyl)pyrimidin- 4- ol
Smiles: COCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccccc1

STK593260
Synonyms: ethyl7- (3,5- difluorophenyl)- 2- [(2- methoxy- 2- oxoethyl)sulfanyl]- 5- methyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cc(F)cc(c1)F)nc([nH]2)SCC(=O)OC

STK593261
Synonyms: 9- (3,5- difluorophenyl)- 6- methyl- 2- (trifluoromethyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)nc(n3)C(F)(F)F)C1)O

STK593262
Synonyms: (6aS)- 2- ethyl- 3- methyl- 6a,7,8,9- tetrahydro- 6H- pyrido[3',2':4,5]thieno[3,2- e]pyrrolo[1,2- a][1,4]diazepine- 6,11(5H)- dione
Smiles: CCc1nc2sc3c(c2cc1C)NC(=O)[C@H]1N(C3=O)CCC1

STK593264
Synonyms: 3- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N'- (phenylsulfonyl)propanehydrazide
Smiles: O=C(NNS(=O)(=O)c1ccccc1)CCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK593265
Synonyms: 5- fluoro- N- (furan- 2- ylmethyl)- N- (4- methoxybenzyl)- 1H- indole- 2- carboxamide
Smiles: COc1ccc(cc1)CN(C(=O)c1[nH]c2c(c1)cc(cc2)F)Cc1ccco1

STK851888
Synonyms: N- [3- (ethylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: CCNC(=O)c1c(NC(=O)c2cc(=O)c3c(o2)cccc3)sc2c1CCCC2

STK593276
Synonyms: N- [3- (furan- 2- yl)- 6- methylheptyl]thiophene- 2- carboxamide
Smiles: CC(CCC(c1ccco1)CCNC(=O)c1cccs1)C

STK851889
Synonyms: 2- amino- 4- hydroxy- 5- (4- hydroxy- 3- methoxyphenyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: COc1cc(ccc1O)C1CC(=O)Nc2c1c(O)nc(n2)N

STK593283
Synonyms: (2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)- 1- [2- (4- methylphenyl)- 1,3- thiazol- 4- yl]ethanone
Smiles: Cc1ccc(cc1)c1scc(n1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

STK593287
Synonyms: N- [(3- methoxybenzyl)carbamoyl]- L- alanine
Smiles: COc1cccc(c1)CNC(=O)N[C@H](C(=O)O)C

STK593288
Synonyms: 2- [2- amino- 5- (2- methoxyphenyl)- 6- methylpyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: COc1ccccc1c1c(C)nc(nc1c1ccc(cc1O)OCc1ccc(cc1)Cl)N

STK593290
Synonyms: 3- (2- methoxyphenyl)- 2,5- dimethyl- 7- [4- (6- methylpyridin- 2- yl)piperazin- 1- yl]pyrazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)cc2N1CCN(CC1)c1cccc(n1)C

STK593296
Synonyms: 2- (ethylsulfanyl)- 6- (2- hydroxyethyl)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: OCCc1c(C)nc2n(c1O)nc(n2)SCC

STK593298
Synonyms: 9,9- dimethyl- 2- phenyl- 12- (pyridin- 3- yl)- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1ccccc1

STK593301
Synonyms: 7- chloro- 1- (4- fluorophenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK593302
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 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)c1ccc(cc1)F

STK593306
Synonyms: 4- (1,2- dimethyl- 1H- indol- 3- yl)- 5- methyl- 1,3- thiazol- 2- amine
Smiles: Nc1sc(c(n1)c1c(C)n(c2c1cccc2)C)C

STK851892
Synonyms: 2- (2- hydroxyethyl)- 7- methyl- 1- (3,4,5- trimethoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCN1C(=O)c2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)c1c(o2)ccc(c1)C

STK593307
Synonyms: N- [(2E)- 5- [(2- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- (2- oxo- 1,3- benzoxazol- 3(2H)- yl)propanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)SCc1ccccc1Cl)CCn1c(=O)oc2c1cccc2

STK593311
Synonyms: 5- (4- methoxyphenyl)- 1,3- dimethyl- 10- (4- oxo- 4H- chromen- 3- yl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)c1c2c(c3n1CCOC3c1coc3c(c1=O)cccc3)n(C)c(=O)n(c2=O)C

STK593318
Synonyms: N- [4- (benzyloxy)phenyl]- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)OCc1ccccc1

STK593319
Synonyms: 5- (4- fluorobenzyl)- 2,6- dihydroxy- 3- (3- methoxyphenyl)pyrimidin- 4(3H)- one
Smiles: COc1cccc(c1)n1c(O)nc(c(c1=O)Cc1ccc(cc1)F)O

STK593320
Synonyms: 1- (4- bromophenyl)- 3- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)pyrrolidine- 2,5- dione
Smiles: Brc1ccc(cc1)N1C(=O)CC(C1=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK593321
Synonyms: N- [(2- hydroxyquinolin- 4- yl)methyl]- 2- methyl- N- (3- methylphenyl)propanamide
Smiles: Cc1cccc(c1)N(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2

STK593323
Synonyms: (2R)- [(1- {[1- (tert- butoxycarbonyl)- 4- phenylpiperidin- 4- yl]carbonyl}- L- prolyl)amino](phenyl)ethanoicacid
Smiles: O=C([C@@H]1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)N[C@H](c1ccccc1)C(=O)O

STK593327
Synonyms: N- [3- ([1,2,4]triazolo[4,3- a]quinoxalin- 4- yloxy)phenyl]acetamide
Smiles: CC(=O)Nc1cccc(c1)Oc1nc2ccccc2n2c1nnc2

STK593329
Synonyms: 12- (furan- 2- yl)- 2- (2- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: COc1ccccc1c1nc2n(n1)cnc1c2C(c2ccco2)c2c(O1)cc(cc2)O

STK593330
Synonyms: 7- methyl- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4H- chromene- 2- carboxamide
Smiles: Cc1ccc2c(c1)oc(cc2=O)C(=O)/N=c\1/[nH]nc(s1)C(C)C

STK593335
Synonyms: methyl(7- hydroxy- 5- methyl- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 6- yl)acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)nc(n2)c1ccccc1

STK593336
Synonyms: 2- [2- amino- 5- (2- bromophenoxy)pyrimidin- 4- yl]- 5- [(4- methylbenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)C)Oc1ccccc1Br

STK593341
Synonyms: 7- hydrazinyl- 3- (2- methoxyphenyl)- 5- methylpyrazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1c1cnn2c1nc(C)cc2NN

STK593347
Synonyms: ethyl(7- hydroxy- 5- methyl- 2- phenylpyrazolo[1,5- a]pyrimidin- 6- yl)acetate
Smiles: CCOC(=O)Cc1c(C)nc2n(c1O)nc(c2)c1ccccc1

STK851896
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 6,7- dihydro- 5H- cyclopenta[d]pyrimidin- 4- ol
Smiles: Oc1nc(nc2c1CCC2)N1CCc2c(C1)cccc2

STK593362
Synonyms: 2- [2- amino- 5- (4- chlorophenyl)- 6- methylpyrimidin- 4- yl]- 5- [(3- chlorobenzyl)oxy]phenol
Smiles: Nc1nc(C)c(c(n1)c1ccc(cc1O)OCc1cccc(c1)Cl)c1ccc(cc1)Cl

STK593363
Synonyms: 8- {[2- (dimethylamino)ethyl]amino}- 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCCN(C)C)nc2c1c(O)nc(=O)n2C)COc1cccc(c1)C

STK851899
Synonyms: 8,10- dimethyl- 2- propyl- N- (pyridin- 3- ylmethyl)pyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidin- 4- amine
Smiles: CCCc1cc(NCc2cccnc2)n2c(n1)c1c(C)cc(nc1n2)C

STK593366
Synonyms: 2- ({5- [(1S)- 1- amino- 3- (methylsulfanyl)propyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N- (2,3- dimethylphenyl)acetamide
Smiles: CSCC[C@@H](c1nnc(o1)SCC(=O)Nc1cccc(c1C)C)N

STK593367
Synonyms: 4- (2- methoxyphenyl)- 8- methyl- 2- [(3- methylphenyl)amino]- 4H- pyrimido[1,2- a][1,3,5]triazin- 6- ol
Smiles: COc1ccccc1C1N=C(Nc2cccc(c2)C)N=c2n1c(O)cc(n2)C

STK593368
Synonyms: 2- (3- methoxyphenyl)- 7,7- dimethyl- 4- (methylsulfanyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: COc1cccc(c1)c1nc(SC)c2c(n1)CC(OC2)(C)C

STK593369
Synonyms: 6- benzyl- N- (3,5- dichlorophenyl)- 2,5- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: Clc1cc(Cl)cc(c1)Nc1c(Cc2ccccc2)c(C)nc2n1nc(c2c1ccccc1)C

STK593371
Synonyms: {(5S)- 3- (4- bromophenyl)- 5- [(4- fluorophenyl)carbamoyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccc(cc1)Br)C(=O)Nc1ccc(cc1)F

STK593373
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- (5- nitrothiophen- 2- yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(s3)[N+](=O)[O-])/NCCc2cc1OC

STK593380
Synonyms: 2- [(7- cyano- 3,4- dihydro- 2H- 1,4- ethano- 1,5- naphthyridin- 6- yl)sulfanyl]- N- (3,5- dichlorophenyl)acetamide
Smiles: N#Cc1cc2N3CCC(c2nc1SCC(=O)Nc1cc(Cl)cc(c1)Cl)CC3

STK593381
Synonyms: 2- [4- (diphenylmethyl)piperazin- 1- yl]- 6- methylpyrimidin- 4- ol
Smiles: Cc1cc(O)nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK851903
Synonyms: {[4- oxo- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 7- yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C(F)(F)F

STK593388
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- [4- (propan- 2- yl)phenyl]- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: O=C1N(Cc2cccnc2)C(c2c1n[nH]c2c1cc(Cl)c(cc1O)C)c1ccc(cc1)C(C)C

STK593389
Synonyms: 4- (3- chlorophenyl)- 3- (2- hydroxy- 3,5- dimethylphenyl)- 5- [2- (4- methoxyphenyl)ethyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)CCN1C(=O)c2c(C1c1cccc(c1)Cl)c([nH]n2)c1cc(C)cc(c1O)C

STK593390
Synonyms: (5E)- 1- (1,1- dioxidotetrahydrothiophen- 3- yl)- 5- [(1,3- diphenyl- 1H- pyrazol- 4- yl)methylidene]- 4- methyl- 2,6- dioxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2cn(nc2c2ccccc2)c2ccccc2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK851905
Synonyms: N- (6- methylpyridin- 2- yl)- 2- (naphtho[2,1- b]furan- 1- yl)acetamide
Smiles: O=C(Cc1coc2c1c1ccccc1cc2)Nc1cccc(n1)C

STK593396
Synonyms: 2- [4- (dimethylamino)phenyl]- 12- (pyridin- 3- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2cccnc2)c2nc(nn2cn1)c1ccc(cc1)N(C)C

STK593399
Synonyms: 5- methyl- N- (pyridin- 4- ylmethyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1CCC2)NCc1ccncc1

STK593404
Synonyms: (3R)- N- [2- (4- chlorophenyl)ethyl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: Clc1ccc(cc1)CCNC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1

STK593405
Synonyms: 5- (1- {[4- (dimethylamino)phenyl]amino}ethylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CN(c1ccc(cc1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C)C

STK593406
Synonyms: N- (2- {[(Z)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccccc1N/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)O

STK593407
Synonyms: N'- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- phenylbutyl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNCCC(C1CCOC(C1)(C)C)Cc1ccccc1)C

STK851907
Synonyms: 2- (2- {[5- methyl- 3- phenyl- 2- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 7- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1cc(C)nc2n1nc(c2c1ccccc1)C(F)(F)F

STK593409
Synonyms: 12- methyl- 7- [(2- phenylethyl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCCc3ccccc3)nnc2n2c1ncn2

STK593410
Synonyms: N- [3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanoyl]- beta- alanine
Smiles: O=C(CCn1nnc2c(c1=O)cccc2)NCCC(=O)O

STK593414
Synonyms: ethyl4- ({(6E)- 4- amino- 6- [(4- chlorophenyl)imino]- 1,6- dihydro- 1,3,5- triazin- 2- yl}methyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1nc(N)n/c(=N/c2ccc(cc2)Cl)/[nH]1

STK593416
Synonyms: 2- ({[(5Z)- 2,4- dioxo- 5- (thiophen- 2- ylmethylidene)- 1,3- thiazolidin- 3- yl]acetyl}amino)- 5- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)O)CN1C(=O)S/C(=C\c2cccs2)/C1=O

STK593419
Synonyms: 2- (7,8- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)ccc(c2O)O)NCc1ccccn1

STK851908
Synonyms: 7- (2- methyl- 1H- imidazol- 1- yl)- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidine
Smiles: CC(c1nc2c(cnn2c(c1)n1ccnc1C)c1ccccc1)C

STK593431
Synonyms: 4- [5- chloro- 2- (pyridin- 2- yl)- 1H- indol- 3- yl]butanoicacid
Smiles: OC(=O)CCCc1c([nH]c2c1cc(Cl)cc2)c1ccccn1

STK851910
Synonyms: N- (4- phenyl- 1,2,5- oxadiazol- 3- yl)- 2- propoxybenzamide
Smiles: CCCOc1ccccc1C(=O)Nc1nonc1c1ccccc1

STK593434
Synonyms: (4E)- 4- {[2- (4- hydroxy- 6- methylpyrimidin- 2- yl)hydrazinyl]methylidene}- 2- phenylisoquinoline- 1,3(2H,4H)- dione
Smiles: Cc1nc(NN/C=C\2/C(=O)N(c3ccccc3)C(=O)c3c2cccc3)nc(c1)O

STK851911
Synonyms: 1- (2- {[(2E)- 6- chloro- 4- phenylquinazolin- 2(1H)- ylidene]amino}- 4- methylpyrimidin- 5- yl)ethanone
Smiles: Clc1ccc2c(c1)c(n/c(=N/c1ncc(c(n1)C)C(=O)C)/[nH]2)c1ccccc1

STK593437
Synonyms: N- (3,5- dimethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK851912
Synonyms: 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- N- [(2E)- 5- methyl- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: Cc1ccc(cc1)c1[nH]/c(=N\C(=O)CN2C(=O)c3c(C2=O)cccc3)/sc1C

STK851913
Synonyms: 3- (4- bromophenyl)- 7- methoxy- 2- (trifluoromethyl)- 4H- chromen- 4- one
Smiles: COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Br)C(F)(F)F

STK851914
Synonyms: 7- (furan- 2- yl)- 2- hydroxy- N- (4- methoxyphenyl)- 5- oxo- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1CC(=NC2=C1C(=O)CC(C2)c1ccco1)O

STK593442
Synonyms: 7- (5- chloro- 2- methylphenyl)- 2,7- dihydro- 3H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thione
Smiles: Clc1ccc(c(c1)n1ncc2c1ncn1c2n[nH]c1=S)C

STK851915
Synonyms: 5- ethoxy- 2- [5- (2- ethoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: CCOc1ccc(c(c1)O)c1ncncc1Oc1ccccc1OCC

STK593443
Synonyms: 3- ethyl- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCN1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STK593447
Synonyms: (1Z)- 4- (2,3- dimethylbutan- 2- yl)- N- hydroxy- 2- methylcyclohexanimine
Smiles: O/N=C\1/CCC(CC1C)C(C(C)C)(C)C

STK593451
Synonyms: N- [(2E,5Z)- 5- (8- ethoxy- 4,4,6- trimethyl- 2- oxo- 4H- pyrrolo[3,2,1- ij]quinolin- 1(2H)- ylidene)- 4- hydroxy- 1,3- thiazol- 2(5H)- ylidene]acetamide
Smiles: CCOc1cc2/C(=C\3/S/C(=N/C(=O)C)/N=C3O)/C(=O)N3c2c(c1)C(=CC3(C)C)C

STK851918
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 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)NCc1ccc2c(c1)OCO2

STK593458
Synonyms: 2- [2- amino- 5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]- 5- [(2- chloro- 4- fluorobenzyl)oxy]phenol
Smiles: COc1cc(ccc1OC)c1cnc(nc1c1ccc(cc1O)OCc1ccc(cc1Cl)F)N

STK593460
Synonyms: 7- [(2- chloro- 4- fluorobenzyl)oxy]- 2- methyl- 3- phenyl- 4H- chromen- 4- one
Smiles: Fc1ccc(c(c1)Cl)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C

STK593461
Synonyms: 2- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (4- methoxyphenyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(CCc2ccc(c(c2)OC)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK593463
Synonyms: 2- (2,4- dichlorophenoxy)- N- [2- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)ethyl]propanamide
Smiles: O=C(C(Oc1ccc(cc1Cl)Cl)C)NCCc1nnc2n1cccc2

STK593464
Synonyms: 2- [4- (3- methoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1C

STK593467
Synonyms: 5- [(2,4- dichlorobenzyl)oxy]- 2- [4- (2- methoxyphenoxy)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccccc1Oc1c[nH]nc1c1ccc(cc1O)OCc1ccc(cc1Cl)Cl

STK593468
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (4- ethylphenoxy)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK593470
Synonyms: 8- (3- chloro- 2- methylphenyl)- 4- hydroxy- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Clc1cccc(c1C)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK593472
Synonyms: 3- (7- methoxy- 4,8- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- (4- methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OC

STK593473
Synonyms: 5- [(2,6- dichlorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCc1c(Cl)cccc1Cl

STK593476
Synonyms: N~3~- (diphenylacetyl)- beta- alaninamide
Smiles: O=C(C(c1ccccc1)c1ccccc1)NCCC(=O)N

STK851920
Synonyms: 2- ethyl- 1- (3- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCN1C(=O)c2c(C1c1cccc(c1)OC)c(=O)c1c(o2)cccc1

STK851921
Synonyms: 4- (4- methylphenyl)- 5- (pyrazin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)n1c(=S)[nH]nc1c1cnccn1

STK851922
Synonyms: 2- [3- (4- methoxyphenyl)- 1H- pyrazol- 5- yl]- 5- methylphenol
Smiles: COc1ccc(cc1)c1n[nH]c(c1)c1ccc(cc1O)C

STK851923
Synonyms: 2- {[(5E)- 5- (acetylimino)- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1n[nH]/c(=N\C(=O)C)/s1

STK851924
Synonyms: 4- (4- chlorophenyl)- 3- (2- hydroxy- 4,5- dimethylphenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1ccc(cc1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(C)c(cc1O)C

STK593498
Synonyms: methyl5- acetyl- 2- {[(Z)- 2- cyano- 2- (4- phenyl- 1,3- thiazol- 2- yl)ethenyl]amino}- 4- methylthiophene- 3- carboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C(=O)C)/c1scc(n1)c1ccccc1

STK593500
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- ethoxy- 4- hydroxyphenyl)- 5- (3- methoxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK593506
Synonyms: methyl(4- hydroxypyrimido[1,2- a]benzimidazol- 2- yl)acetate
Smiles: COC(=O)Cc1cc(O)n2c(n1)nc1c2cccc1

STK593515
Synonyms: 1- tert- butyl4- (8- methyl- 2- oxo- 4- propyl- 2H- chromen- 7- yl)piperidine- 1,4- dicarboxylate
Smiles: CCCc1cc(=O)oc2c1ccc(c2C)OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

STK593518
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 2- (4- methylpiperazin- 1- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCN(CC1)c1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK593519
Synonyms: N- [(3Z)- 1- ethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- methylbenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)C)/c2c1nc1ccccc1c2

STK851925
Synonyms: 6- amino- 4- (2- chloro- 6- fluorophenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[3,4- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1c1c(F)cccc1Cl)c(C)nn2c1ccccc1

STK593522
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- [4- (piperidin- 1- ylsulfonyl)phenyl]- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1cc([nH]n1)c1cc(C)ccc1O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK851926
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)Nc1ccc2c(c1)OCO2

STK851927
Synonyms: 2- [2- amino- 5- (2- methoxyphenoxy)pyrimidin- 4- yl]- 5- (benzyloxy)phenol
Smiles: COc1ccccc1Oc1cnc(nc1c1ccc(cc1O)OCc1ccccc1)N

STK593527
Synonyms: N- {4- [(2,6- dimethylmorpholin- 4- yl)sulfonyl]phenyl}- 5- (2- hydroxy- 4- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccc(cc1O)C

STK801767
Synonyms: ethyl1- (3- formyl- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 2- yl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1C=O

STK593533
Synonyms: 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)C

STK593535
Synonyms: 5- methyl- 3- phenyl- 6- (prop- 2- en- 1- yl)- 7- (pyrrolidin- 1- yl)pyrazolo[1,5- a]pyrimidine
Smiles: C=CCc1c(C)nc2n(c1N1CCCC1)ncc2c1ccccc1

STK593536
Synonyms: 5- fluoro- 3- hydroxy- 3- [2- (naphthalen- 2- yl)- 2- oxoethyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Fc1ccc2c(c1)C(O)(CC(=O)c1ccc3c(c1)cccc3)C(=O)N2

STK593542
Synonyms: 7- chloro- 1- (3- ethoxy- 4- hydroxyphenyl)- 2- (4- fluorobenzyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK593544
Synonyms: 4- ethyl- 8- methyl- 2- oxo- 6- (piperidinium- 1- ylmethyl)- 2H- chromen- 7- olate
Smiles: CCc1cc(=O)oc2c1cc(C[NH+]1CCCCC1)c(c2C)[O-]

STK593545
Synonyms: 7- chloro- 1- (3- hydroxyphenyl)- 2- (2- methoxyethyl)- 6- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cc(c(c1)Cl)C

STK593546
Synonyms: N- [2- (4- chlorophenyl)- 5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Clc1ccc(cc1)c1nc2n(n1)c(cc(n2)O)NC(=O)c1ccccc1

STK593548
Synonyms: N- benzyl- 6- chloro- 7- methyl- 4- oxo- N- (pyridin- 2- yl)- 4H- chromene- 2- carboxamide
Smiles: O=C(N(c1ccccn1)Cc1ccccc1)c1cc(=O)c2c(o1)cc(c(c2)Cl)C

STK593551
Synonyms: 4,6- bis(3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- phenylpyrimidine
Smiles: Cc1nn(c(c1)C)c1nc(nc(c1)n1nc(cc1C)C)c1ccccc1

STK593552
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- [5- (propan- 2- yl)- 1,3,4- thiadiazol- 2- yl]- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc(c(c1)c1[nH]nc(c1)C(=O)Nc1nnc(s1)C(C)C)O

STK593557
Synonyms: (5E)- 4- hydroxy- 5- [2- oxo- 2- (piperidin- 1- yl)ethylidene]- 1,3- thiazol- 2(5H)- one
Smiles: O=C(N1CCCCC1)/C=C\1/SC(=O)N=C1O

STK593558
Synonyms: 7- cyclohexyl- N~5~- [3- (morpholin- 4- yl)propyl]- 6,7,8,9- tetrahydro- 3H- pyrazolo[3,4- c][2,7]naphthyridine- 1,5- diamine
Smiles: Nc1n[nH]c2c1c1CCN(Cc1c(n2)NCCCN1CCOCC1)C1CCCCC1

STK593561
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1H- pyrazol- 5- yl)phenol
Smiles: Clc1cccc(c1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C

STK851934
Synonyms: ethyl{[(2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl]oxy}acetate
Smiles: CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

STK593566
Synonyms: 6- tert- butyl- 4- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 2H- chromen- 2- one
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)(C)C

STK593573
Synonyms: tert- butyl(3S)- 3- ({2- [(furan- 2- ylmethyl)amino]- 2- oxoethyl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: O=C(NCc1ccco1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK851935
Synonyms: 2- {4- [3- (3,4- dimethoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1cc(C)nc2n1nc(c2c1ccc(c(c1)OC)OC)C

STK593574
Synonyms: 8- (3- chloro- 4- methoxyphenyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: COc1ccc(cc1Cl)n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK593575
Synonyms: [(5S)- 5- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbamoyl)- 3- (4- methylphenyl)- 4,5- dihydro- 1,2- oxazol- 5- yl]aceticacid
Smiles: OC(=O)C[C@]1(ON=C(C1)c1ccc(cc1)C)C(=O)Nc1ccc2c(c1)OCCO2

STK851936
Synonyms: N- (1,3- benzodioxol- 5- yl)- 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)Nc1ccc2c(c1)OCO2

STK593582
Synonyms: 2- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- [2- hydroxy- 2- (4- hydroxyphenyl)ethyl]- N- methylacetamide
Smiles: Oc1ccc(cc1)C(CN(C(=O)CN1C(=S)S/C(=C\c2ccccc2)/C1=O)C)O

STK593586
Synonyms: 5- [(3,4- dichlorobenzyl)oxy]- 2- [5- (4- methoxyphenoxy)pyrimidin- 4- yl]phenol
Smiles: COc1ccc(cc1)Oc1cncnc1c1ccc(cc1O)OCc1ccc(c(c1)Cl)Cl

STK851938
Synonyms: ethyl(2E)- 4- methyl- 2- [(pyridin- 4- ylcarbonyl)imino]- 2,3- dihydro- 1,3- thiazole- 5- carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)c2ccncc2)/[nH]c1C

STK593594
Synonyms: N- (2- ethylphenyl)- 7- hydroxy- 1,3- dimethyl- 2,4- dioxo- 1,2,3,4,5,6- hexahydropyrido[2,3- d]pyrimidine- 5- carboxamide
Smiles: CCc1ccccc1NC(=O)C1CC(=Nc2c1c(=O)n(C)c(=O)n2C)O

STK593599
Synonyms: 1- (3- ethoxypropyl)- 2- imino- 8- methyl- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: CCOCCCn1c2nc3ccc(cn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1)C

STK593600
Synonyms: 1- [10- (furan- 2- yl)- 8- methyl- 2- (2- methylphenyl)- 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)c1ccccc1C

STK593605
Synonyms: 2- (1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)- N- (furan- 2- ylmethyl)- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(N(Cc1ccco1)CC1CCCO1)CN1C(=O)c2c(S1(=O)=O)cccc2

STK593607
Synonyms: (5Z)- 1- cyclopropyl- 5- (1H- pyrrol- 2- ylmethylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1[nH]ccc1)C1CC1

STK593610
Synonyms: ethyl1- [(1- benzyl- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 2- yl)carbonyl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK593613
Synonyms: N- ({4- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)glycine
Smiles: OC(=O)CNC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK851943
Synonyms: ethyl4- ({(5Z)- 4- oxo- 5- [4- (propan- 2- yl)benzylidene]- 2- thioxo- 1,3- thiazolidin- 3- yl}acetyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)CN1C(=S)S/C(=C\c2ccc(cc2)C(C)C)/C1=O

STK851944
Synonyms: 1- (3- methoxypropyl)- 2- [(4- phenylpiperazin- 1- yl)carbonyl]pyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 4(1H)- one
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCN(CC1)c1ccccc1

STK851945
Synonyms: 1- (4- ethoxy- 3- methoxyphenyl)- 2- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1OC)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK593621
Synonyms: N- [(2Z)- 1,3- benzoxazol- 2(3H)- ylidene]- 5- (2,3- dimethylcyclohexyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CC1C(C)CCCC1N1CNC(=NC1)/N=c/1\oc2c([nH]1)cccc2

STK593622
Synonyms: N- [4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]ethane- 1,2- diamine
Smiles: NCCNc1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C

STK851948
Synonyms: 2- methyl- 5- {[(4- methylphenyl)sulfanyl]methyl}[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1ccc(cc1)SCc1cc(O)n2c(n1)nc(n2)C

STK593624
Synonyms: 2- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccccc1C

STK593625
Synonyms: ethyl4- hydroxy- 2- (4- methylpiperazin- 1- yl)pyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1cnc(nc1O)N1CCN(CC1)C

STK593626
Synonyms: N- [(2E)- 3- (2- chlorobenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1Cc1ccccc1Cl)CS(=O)(=O)C2

STK593628
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 5- (pyridin- 3- yl)- 1,3,4- thiadiazol- 2- amine
Smiles: COc1ccc(cc1Nc1nnc(s1)c1cccnc1)Cl

STK593630
Synonyms: 7- chloro- 6- methyl- 1- [4- (propan- 2- yl)phenyl]- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(Cc2cccnc2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccc(cc1)C(C)C

STK593631
Synonyms: N- [5- hydroxy- 2- (3- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)c1cccc(c1)C

STK593633
Synonyms: N- [3- (4- fluorophenyl)- 3- (furan- 2- yl)propyl]- 4,5,6,7- tetrahydro- 2H- indazole- 3- carboxamide
Smiles: Fc1ccc(cc1)C(c1ccco1)CCNC(=O)c1[nH]nc2c1CCCC2

STK593636
Synonyms: (4Z)- 4- (1,3- benzodioxol- 5- ylmethylidene)- 2- (3- bromophenyl)- 4H- imidazol- 5- ol
Smiles: Brc1cccc(c1)C1=N/C(=C\c2ccc3c(c2)OCO3)/C(=N1)O

STK593638
Synonyms: 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 8- [(pyridin- 3- ylmethyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NCc2cccnc2)nc2c1c(O)nc(=O)n2C

STK851952
Synonyms: 1- benzyl- N- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK593641
Synonyms: 1- (furan- 2- ylmethyl)- 2,5- dihydroxy- 5- (trifluoromethyl)- 5,7- dihydro- 1H- pyrrolo[2,3- d]pyrimidine- 4,6- dione
Smiles: O=C1Nc2c(C1(O)C(F)(F)F)c(=O)nc(n2Cc1ccco1)O

STK851953
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 5- (pyridin- 4- yl)- 1,3,4- thiadiazol- 2- amine
Smiles: COc1ccc(cc1Nc1nnc(s1)c1ccncc1)Cl

STK593644
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK593646
Synonyms: 2- (4- tert- butylphenyl)- 7- methyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cn1ncc2c1ncn1c2nc(n1)c1ccc(cc1)C(C)(C)C

STK593648
Synonyms: ethyl1- amino- 5- (propan- 2- yl)- 7,8- dihydro- 6H- cyclopenta[d]furo[2,3- b]pyridine- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1N)c1CCCc1c(n2)C(C)C

STK851955
Synonyms: 2- [2- amino- 5- phenyl- 6- (trifluoromethyl)pyrimidin- 4- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1nc(N)nc(c1c1ccccc1)C(F)(F)F

STK593651
Synonyms: (2Z,5Z)- 2- [(3- hydroxyphenyl)imino]- 5- [(1- methyl- 1H- indol- 3- yl)methylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: Oc1cccc(c1)/N=C\1/N=C(/C(=C/c2cn(c3c2cccc3)C)/S1)O

STK593653
Synonyms:
Smiles: CCC([C@@H](C(=O)NCC(=O)O)NC(=O)c1cc2c(n1C)ccc(c2)Cl)C

STK593655
Synonyms: methyl2- {[(4- amino- 3- ethyl- 2- thioxo- 2,3- dihydro- 1,3- thiazol- 5- yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1sc(=S)n(c1N)CC

STK593657
Synonyms: 2'- hydroxy- 1'- methyl- 1,2,4,4a- tetrahydro- 4'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: OC1=NC(=O)C2(C(=O)N1C)Cc1ccccc1N1C2COCC1

STK593660
Synonyms: (5E)- 6- hydroxy- 3- (2- methylphenyl)- 5- (1- {[2- (morpholin- 4- yl)ethyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCN1CCOCC1

STK593663
Synonyms: N,N- dimethyl- N'- (8- propyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- yl)propane- 1,3- diamine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCCCN(C)C)nc2n1nnn2

STK593665
Synonyms: N- (azepan- 1- ylcarbonyl)- L- phenylalanine
Smiles: O=C(N1CCCCCC1)N[C@H](C(=O)O)Cc1ccccc1

STK593667
Synonyms: (2E)- 1- (4- fluorophenyl)- 2- {[(2Z)- 2- (hydroxyimino)- 2- phenylethyl](oxido)- lambda~5~- azanylidene}propan- 1- one
Smiles: O/N=C(/c1ccccc1)\C/[N+](=C(\C(=O)c1ccc(cc1)F)/C)/[O-]

STK593670
Synonyms: (5Z)- 3- (2- fluorobenzyl)- 2- hydroxy- 5- [(6- methoxy- 1,3- benzodioxol- 5- yl)methylidene]- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: COc1cc2OCOc2cc1/C=C/1\N=C(N(C1=O)Cc1ccccc1F)O

STK851960
Synonyms: methyl3- (3- methoxybenzyl)- 4- oxo- 2- sulfanyl- 3,4- dihydroquinazoline- 7- carboxylate
Smiles: COc1cccc(c1)Cn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC

STK593673
Synonyms: 2- [2- amino- 5- (2- bromophenoxy)pyrimidin- 4- yl]- 5- [(4- chlorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccc(cc1)Cl)Oc1ccccc1Br

STK593674
Synonyms: N'- [5,6- di(furan- 2- yl)furo[2,3- d]pyrimidin- 4- yl]- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1c(c1ccco1)c(o2)c1ccco1)CC

STK593680
Synonyms: N- [5- hydroxy- 2- (4- methoxyphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]hexanamide
Smiles: CCCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)OC

STK593681
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (3- nitrophenoxy)- N- [4- (propan- 2- yl)benzyl]acetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C)COc1cccc(c1)[N+](=O)[O-]

STK851961
Synonyms: 1,7- dimethyl- 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(n1C)nc1n(c2=O)cc(cc1)C

STK593682
Synonyms: (4- benzylpiperidin- 1- yl)(5- fluoro- 1H- indol- 2- yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCC(CC1)Cc1ccccc1

STK593683
Synonyms: 5- hydrazinyl- 11- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1ncn2)C(C)CCC3

STK593684
Synonyms: 1- [10- (4- methoxyphenyl)- 8- methyl- 2- phenyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: COc1ccc(cc1)C1C(=C(C)Oc2c1c1nc(nn1cn2)c1ccccc1)C(=O)C

STK593685
Synonyms: 1- benzyl- N- (3- methoxyphenyl)- 9- methyl- 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)cccc1C

STK593689
Synonyms: N- (3- chlorobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (2- methylphenoxy)acetamide
Smiles: Clc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccccc1C

STK593690
Synonyms: methylN- [(thiophen- 2- ylmethyl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccs1

STK593692
Synonyms: N- (5- hydroxy- 2- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 3- methylbutanamide
Smiles: CC(CC(=O)Nc1cc(O)nc2n1nc(n2)c1ccccc1)C

STK593697
Synonyms: 5- [(2E)- 3- (4- ethoxyphenyl)prop- 2- enoyl]- 2,6- dihydroxy- 3- phenylpyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)c1ccccc1)O

STK851964
Synonyms: N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 6,8- dimethyl- 4- oxo- N- (thiophen- 2- ylmethyl)- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)N(C1CCS(=O)(=O)C1)Cc1cccs1

STK593703
Synonyms: 1- (3- ethoxyphenyl)- 2- [2- (4- methoxyphenyl)ethyl]- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(CCc2ccc(cc2)OC)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK593708
Synonyms: 5- [(biphenyl- 4- ylmethyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: [O-]C(=O)c1cc(NCc2ccc(cc2)c2ccccc2)ccc1[NH+]1CCOCC1

STK593709
Synonyms: N- [4- (acetylamino)phenyl]- 3- (7- methoxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)propanamide
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)Nc1ccc(cc1)NC(=O)C

STK593713
Synonyms: 2- [(2- methoxybenzyl)amino]- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: COc1ccccc1CNc1[nH]c2n(n1)c(=O)c(c(n2)C)C

STK593717
Synonyms: (2Z)- 2- (4- chlorobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- yl3- nitrobenzoate
Smiles: Clc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1cccc(c1)[N+](=O)[O-]

STK593718
Synonyms: {4- hydroxy- 2- [2- (morpholin- 4- yl)ethyl]- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl}(phenyl)methanone
Smiles: O=C(C1=C(O)c2ccccc2S(=O)(=O)N1CCN1CCOCC1)c1ccccc1

STK593720
Synonyms: (3aR,4R,7S,7aR)- 3- (4- methoxyphenyl)- 3a,4,5,6,7,7a- hexahydro- 4,7- methano- 1,2- benzoxazole
Smiles: COc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1

STK593721
Synonyms: N- [(1- phenylethyl)carbamoyl]- L- valine
Smiles: CC(c1ccccc1)NC(=O)N[C@H](C(=O)O)C(C)C

STK593724
Synonyms: 3- (4- methoxybenzyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: COc1ccc(cc1)CN1C(=N)SC2C1CS(=O)(=O)C2

STK593729
Synonyms: 2- [(3a'S,6a'R)- 5'- tert- butyl- 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]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1

STK593732
Synonyms: (2Z)- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)- 1- (pyrazin- 2- yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3cnccn3)/NCCc2cc1OC

STK851965
Synonyms: (2Z)- 3- oxo- 2- (2,3,4- trimethoxybenzylidene)- 2,3- dihydro- 1- benzofuran- 6- yl4- fluorobenzenesulfonate
Smiles: COc1c(ccc(c1OC)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)F

STK593734
Synonyms: 3- [5- chloro- 6- oxo- 4- {[3- (trifluoromethyl)phenyl]amino}pyridazin- 1(6H)- yl]tricyclo[3.3.1.1~3,7~]decane- 1- carboxylicacid
Smiles: OC(=O)C12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)Nc1cccc(c1)C(F)(F)F

STK593738
Synonyms: 6- tert- butyl- 4- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 2H- chromen- 2- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1cc(=O)oc2c1cc(cc2)C(C)(C)C

STK851969
Synonyms: 6- benzyl- 5- methyl- 2- (trifluoromethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nc2nc(nn2c(c1Cc1ccccc1)O)C(F)(F)F

STK593739
Synonyms: 5- [(2- chlorobenzyl)amino]- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: [O-]C(=O)c1cc(ccc1[NH+]1CCOCC1)NCc1ccccc1Cl

STK593740
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- methyl- 1H- pyrazol- 5- yl]- 3- methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1cc(nn1c1nc2c([nH]1)cccc2)C

STK851972
Synonyms: (2Z)- 2- (4- methoxybenzylidene)- 7- methyl- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmethanesulfonate
Smiles: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C)OS(=O)(=O)C

STK851973
Synonyms: 5- tert- butyl- 3- (4- chlorophenyl)- N- [2- (morpholin- 4- yl)ethyl]pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(NCCN2CCOCC2)n2c(n1)c(cn2)c1ccc(cc1)Cl)(C)C

STK593750
Synonyms: 5- [(2,5- dimethylbenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1,2- oxazol- 5- yl)phenol
Smiles: Cc1ccc(c(c1)COc1ccc(c(c1)O)c1onc(c1c1ccccc1)C)C

STK593752
Synonyms: (5- chloro- 1H- indol- 2- yl)(4- ethylpiperazin- 1- yl)methanone
Smiles: CCN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl

STK593754
Synonyms: 4- [(2E)- 2- ({1- [2- oxo- 2- (phenylamino)ethyl]- 1H- indol- 3- yl}methylidene)hydrazinyl]benzoicacid
Smiles: O=C(Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O)Nc1ccccc1

STK851974
Synonyms: 2- {4- [4- (3,4- dimethoxyphenyl)- 1H- pyrazol- 5- yl]- 3- hydroxyphenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1[nH]ncc1c1ccc(c(c1)OC)OC

STK851975
Synonyms: 3- (4- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- yldiethylcarbamate
Smiles: CCN(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)OC)C(F)(F)F)CC

STK593755
Synonyms: 3'- [2- (3,4- dimethoxyphenyl)ethyl]- 6'- hydroxy- 4- methyl- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O

STK593760
Synonyms: N- (3- bromobenzyl)- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- 2- (4- methylphenoxy)acetamide
Smiles: Cc1ccc(cc1)OCC(=O)N(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br

STK593764
Synonyms: (5Z)- 6- hydroxy- 5- [5- (4- methoxyphenyl)pyrazolidin- 3- ylidene]- 3- (3- methoxypropyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COCCCN1C(=O)N=C(/C(=C\2/NNC(C2)c2ccc(cc2)OC)/C1=O)O

STK593766
Synonyms: (5Z)- 5- {1- [(4- ethoxyphenyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK593768
Synonyms: N- [1- benzyl- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1)NC1(C(=O)Nc2c1c(O)nc(=O)n2Cc1ccccc1)C(F)(F)F

STK593769
Synonyms: 5- [(2- fluorobenzyl)oxy]- 2- [4- (4- methoxyphenyl)- 3- (trifluoromethyl)- 1H- pyrazol- 5- yl]phenol
Smiles: COc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccccc1F

STK851979
Synonyms: 1- (3- methoxypropyl)- N- (4- methylphenyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)Nc1ccc(cc1)C

STK593774
Synonyms: (5Z)- 3- [2- (4- methoxyphenyl)ethyl]- 5- {[5- (piperidin- 1- yl)furan- 2- yl]methylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1)CCN1C(=S)S/C(=C\c2ccc(o2)N2CCCCC2)/C1=O

STK593775
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- L- alanine
Smiles: C[C@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1

STK593778
Synonyms: 2- [(5Z)- 5- benzylidene- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]- N- (1,1- dioxidotetrahydrothiophen- 3- yl)- N- methylacetamide
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)CN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK593779
Synonyms: N- [5- hydroxy- 2- (4- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]pentanamide
Smiles: CCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C

STK593780
Synonyms: methyl2- (2- hydroxycyclohex- 1- en- 1- yl)pyridine- 4- carboxylate
Smiles: COC(=O)c1ccnc(c1)C1=C(O)CCCC1

STK593784
Synonyms: 7- chloro- 2',6'- dihydroxy- 3- methyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=NC1=O)O)O

STK593785
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 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)c1cc(Cl)c(cc1O)C

STK851980
Synonyms: 3- (2- hydroxyphenyl)- 4- [4- (methylsulfanyl)phenyl]- 5- [3- (propan- 2- yloxy)propyl]- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: CSc1ccc(cc1)C1N(CCCOC(C)C)C(=O)c2c1c([nH]n2)c1ccccc1O

STK851981
Synonyms: 3- (biphenyl- 4- yloxy)- 4- oxo- 4H- chromen- 7- ylmethylcarbonate
Smiles: COC(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccc(cc1)c1ccccc1

STK593786
Synonyms: 5,6- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 7- (pyridin- 2- yl)- 7H- pyrrolo[2,3- d]pyrimidin- 4- amine
Smiles: Cc1c(C)n(c2c1c(NCCN1CCOCC1)ncn2)c1ccccn1

STK593788
Synonyms: 16- phenyl- 2,3,4,6,7,11,12,16- octahydro- 1H,10H- [1,4]dioxepino[2',3':6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: O=C1CCCC2=C1C(C=C1N2CCc2c1cc1OCCCOc1c2)c1ccccc1

STK593792
Synonyms: N~2~- {[1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 5- oxopyrrolidin- 3- yl]carbonyl}- N- (tetrahydrofuran- 2- ylmethyl)- L- valinamide
Smiles: CC([C@@H](C(=O)NCC1CCCO1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C

STK593796
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- (pyridin- 4- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK593798
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- (4- methylphenyl)- N- (1,3- thiazol- 2- yl)propanamide
Smiles: O=C(CC(c1ccc(cc1)C)C1CCOC(C1)(C)C)Nc1nccs1

STK593805
Synonyms: N- (prop- 2- en- 1- yl)- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: C=CCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK851984
Synonyms: (2Z)- 2- (3- methylbenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(c1)C)/C2=O

STK593807
Synonyms: 1- benzyl- N- (butan- 2- yl)- 9- methyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: CCC(NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C)C

STK593827
Synonyms: 2- [4- (4- methoxyphenyl)- 3- (trifluoromethyl)- 1H- pyrazol- 5- yl]- 5- [(4- nitrobenzyl)oxy]phenol
Smiles: COc1ccc(cc1)c1c([nH]nc1C(F)(F)F)c1ccc(cc1O)OCc1ccc(cc1)[N+](=O)[O-]

STK593828
Synonyms: N- (furan- 2- ylmethyl)- 3- (1H- indol- 3- yl)- 2- methylpropanamide
Smiles: O=C(C(Cc1c[nH]c2c1cccc2)C)NCc1ccco1

STK593831
Synonyms: 5- methyl- 3- (2- sulfanylethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: SCCn1cnc2c(c1=O)n(C)c1c2cccc1

STK593832
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)N)C

STK593833
Synonyms: 2- imino- 8- methyl- 1- [3- (morpholin- 4- yl)propyl]- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(CCCN2CCOCC2)c(=N)c(c1)S(=O)(=O)c1ccccc1

STK593834
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- 2- imino- 8- methyl- 1- [3- (morpholin- 4- yl)propyl]- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc2n(c1)c(=O)c1c(n2)n(CCCN2CCOCC2)c(=N)c(c1)S(=O)(=O)c1ccc(cc1)Cl

STK593837
Synonyms: {(3Z)- 2- oxo- 3- [(2E)- 4- oxo- 3- (prop- 2- en- 1- yl)- 2- (1,3- thiazol- 2- ylimino)- 1,3- thiazolidin- 5- ylidene]- 2,3- dihydro- 1H- indol- 1- yl}aceticacid
Smiles: C=CCN1/C(=N\c2nccs2)/S/C(=C\2/c3ccccc3N(C2=O)CC(=O)O)/C1=O

STK851988
Synonyms: methyl4- ({7- [(2- fluorobenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1F

STK593844
Synonyms: 4- {(2E)- 2- [(2- hydroxy- 6- methylquinolin- 3- yl)methylidene]hydrazinyl}benzoicacid
Smiles: Cc1ccc2c(c1)cc(c(n2)O)/C=N/Nc1ccc(cc1)C(=O)O

STK593847
Synonyms: 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (3,4- dimethylphenyl)acetamide
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(=O)Nc1ccc(c(c1)C)C

STK593853
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (6- methylpyridin- 2- yl)acetamide
Smiles: O=C(Nc1cccc(n1)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK851991
Synonyms: 2- [4- (2- methyl- 3- phenyl- 5- propylpyrazolo[1,5- a]pyrimidin- 7- yl)piperazin- 1- yl]ethanol
Smiles: CCCc1cc(N2CCN(CC2)CCO)n2c(n1)c(c1ccccc1)c(n2)C

STK593859
Synonyms: 5- (furan- 2- yl)- 4- imino- 3- [2- (morpholin- 4- yl)ethyl]- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: Oc1ccc2c(c1)Oc1c(C2c2ccco2)c(=N)n(cn1)CCN1CCOCC1

STK593861
Synonyms: 1- amino- 8,8- dimethyl- 5- (pyrrolidin- 1- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK593862
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- methyl- 3- phenyl- 5- (propan- 2- yl)pyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CC(c1cc(Nc2ccc(c(c2)Cl)C)n2c(n1)c(c1ccccc1)c(n2)C)C

STK851993
Synonyms: 4- (bicyclo[2.2.1]hept- 2- yl)- 2,6- dimethylphenol
Smiles: Oc1c(C)cc(cc1C)C1CC2CC1CC2

STK593863
Synonyms: 1- {5- methyl- 1- [6- (morpholin- 4- yl)- 2- phenylpyrimidin- 4- yl]- 1H- pyrazol- 4- yl}ethanone
Smiles: CC(=O)c1cnn(c1C)c1cc(nc(n1)c1ccccc1)N1CCOCC1

STK593865
Synonyms: N- ({4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexyl}carbonyl)- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK851994
Synonyms: (2Z)- 2- (1,3- benzodioxol- 5- ylmethylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- ylmethanesulfonate
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2)OS(=O)(=O)C

STK593866
Synonyms: N- [(4- methylphenyl)carbamoyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)Nc1ccc(cc1)C

STK593868
Synonyms: 2- [5- (2- methoxyphenyl)pyrimidin- 4- yl]- 5- [(2- methylbenzyl)oxy]phenol
Smiles: COc1ccccc1c1cncnc1c1ccc(cc1O)OCc1ccccc1C

STK593869
Synonyms: 5- [(3- chlorobenzyl)oxy]- 2- [5- (3,4- dimethoxyphenyl)pyrimidin- 4- yl]phenol
Smiles: COc1cc(ccc1OC)c1cncnc1c1ccc(cc1O)OCc1cccc(c1)Cl

STK593870
Synonyms: (2S)- N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)/N=c\1/sc2c([nH]1)cccc2

STK593877
Synonyms: 2,2- dimethyl- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- phenylpropanamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C(C)(C)C)c1ccccc1

STK593878
Synonyms: 2- {2- [4- (3- methoxyphenyl)piperazin- 1- yl]- 2- oxoethyl}- 1,2- benzothiazol- 3(2H)- one1,1- dioxide
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2

STK851997
Synonyms: 4,7,7- trimethyl- 3- oxo- N- (pyridin- 2- ylmethyl)- 2- oxabicyclo[2.2.1]heptane- 1- carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)NCc1ccccn1

STK593881
Synonyms: 2- {[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- 1- (piperidin- 1- yl)ethanone
Smiles: Cc1ccc(cc1)c1nc(SCC(=O)N2CCCCC2)c2c(n1)CC(OC2)(C)C

STK852000
Synonyms: N- [(2E)- 6- (butylsulfamoyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: CCCCNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccncc1)/[nH]2

STK593892
Synonyms: 4- hydroxy- 1,6,7- trimethyl- 8- (2- phenylethyl)- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1c(n2)n(c(c1C)C)CCc1ccccc1)C

STK852002
Synonyms: (3Z)- 5- bromo- 3- [2- imino- 4- oxo- 3- (1,3- thiazol- 2- yl)- 1,3- thiazolidin- 5- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)/C(=C\1/SC(=N)N(C1=O)c1nccs1)/C(=O)N2

STK593893
Synonyms: 1- (4- fluorophenyl)- 2- (3- hydroxypropyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cccc1

STK593894
Synonyms: 1- (1- {6- [(4- methoxyphenyl)amino]pyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: COc1ccc(cc1)Nc1ncnc(c1)n1ncc(c1C)C(=O)C

STK593896
Synonyms: [1- amino- 5- (piperidin- 1- yl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinolin- 2- yl](pyrrolidin- 1- yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCCCC1)N1CCCC1

STK593902
Synonyms: 1- (1- {6- [(3,4- difluorophenyl)amino]- 2- methylpyrimidin- 4- yl}- 5- methyl- 1H- pyrazol- 4- yl)ethanone
Smiles: Cc1nc(Nc2ccc(c(c2)F)F)cc(n1)n1ncc(c1C)C(=O)C

STK852005
Synonyms: (2Z)- 3- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(Br)c(c(c1)OC)O)/c1scc(n1)c1cc2ccccc2oc1=O

STK593907
Synonyms: 5- (5- chloro- 2- hydroxyphenyl)- N- (3- chloro- 4- methoxyphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: COc1ccc(cc1Cl)NC(=O)c1n[nH]c(c1)c1cc(Cl)ccc1O

STK593909
Synonyms: N- (1- methoxypropan- 2- yl)- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: COCC(NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1)C

STK593910
Synonyms: 3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- N- (4- fluorobenzyl)- 6- methylheptan- 1- amine
Smiles: CC(CCC(C1CCOC(C1)(C)C)CCNCc1ccc(cc1)F)C

STK593911
Synonyms: 4- [(E)- (4- iminio- 7,8- dimethyl- 2- oxo- 2H- pyrimido[2,1- b][1,3]benzothiazol- 3(4H)- ylidene)methyl]benzoate
Smiles: O=C1N=c2sc3c(n2C(=[NH2+])/C/1=C\c1ccc(cc1)C(=O)[O-])cc(c(c3)C)C

STK593913
Synonyms: 2- [(2,6- dimethylphenoxy)methyl]- 12- (furan- 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(c1ccco1)c1c(O2)ncn2c1nc(n2)COc1c(C)cccc1C

STK852007
Synonyms: N- (5- hydroxy[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl)- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1cc(O)nc2n1ncn2

STK593919
Synonyms: 2- amino- 5- (2- chlorophenyl)- 7- hydroxy- 5,6- dihydropyrido[2,3- d]pyrimidin- 4(3H)- one
Smiles: OC1=Nc2nc(N)[nH]c(=O)c2C(C1)c1ccccc1Cl

STK593920
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK593921
Synonyms: 2- chloro- N- [5- hydroxy- 2- (2- phenylethyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]benzamide
Smiles: Oc1cc(NC(=O)c2ccccc2Cl)n2c(n1)nc(n2)CCc1ccccc1

STK852008
Synonyms: N- (2,5- dimethoxyphenyl)- 4- hydroxy- 3,6,6- trimethyl- 4,5,6,7- tetrahydro- 1- benzofuran- 2- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1oc2c(c1C)C(O)CC(C2)(C)C)OC

STK593922
Synonyms: N- (3- chloro- 4- methylphenyl)- 5- (2- hydroxy- 3,4- dimethylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1O)C)C)Nc1ccc(c(c1)Cl)C

STK593923
Synonyms: 5- (2- hydroxy- 5- methylphenyl)- N- (pyridin- 4- ylmethyl)- 1H- pyrazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)c1[nH]nc(c1)C(=O)NCc1ccncc1)O

STK852011
Synonyms: propan- 2- ylN- {[1- (3- methoxypropyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 2- yl]carbonyl}glycinate
Smiles: COCCCn1c(cc2c1nc1ccccn1c2=O)C(=O)NCC(=O)OC(C)C

STK593932
Synonyms: N- (4- {(2,5- dimethoxybenzyl)[3- (morpholin- 4- yl)propyl]sulfamoyl}phenyl)acetamide
Smiles: COc1ccc(cc1CN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCN1CCOCC1)OC

STK593936
Synonyms: tert- butyl[(1S)- 1- (4- amino- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)- 3- methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(n1N)S)NC(=O)OC(C)(C)C)C

STK852013
Synonyms: methyl1- [(1- benzyl- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidin- 2- yl)carbonyl]piperidine- 4- carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK593943
Synonyms: (6'- fluoro- 4'- methyl- 3',4'- dihydro- 1'H- spiro[cyclopentane- 1,2'- quinolin]- 1'- yl)(morpholin- 4- yl)methanone
Smiles: Fc1ccc2c(c1)C(C)CC1(N2C(=O)N2CCOCC2)CCCC1

STK852016
Synonyms: 6- benzyl- 3- (2- methoxyphenyl)- 2,5- dimethylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: COc1ccccc1c1c(C)nn2c1nc(C)c(c2O)Cc1ccccc1

STK593947
Synonyms: (5E)- 1- (3- chloro- 4- methylphenyl)- 2- hydroxy- 5- (4- methoxybenzylidene)pyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(c(c1)Cl)C)O

STK593949
Synonyms: 5,11- dimethyl- N- (pyridin- 3- ylmethyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2C)sc2c1C(C)CCC2)NCc1cccnc1

STK593953
Synonyms: N- [(2Z)- 3- (3- methoxybenzyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (thiophen- 2- yl)acetamide
Smiles: COc1cccc(c1)CN1/C(=N/C(=O)Cc2cccs2)/SC2C1CS(=O)(=O)C2

STK593958
Synonyms: 2- [4- (4- chlorophenyl)- 3- methyl- 1,2- oxazol- 5- yl]- 5- [(2- methylprop- 2- en- 1- yl)oxy]phenol
Smiles: CC(=C)COc1ccc(c(c1)O)c1onc(c1c1ccc(cc1)Cl)C

STK593962
Synonyms: 5- (2- hydroxyphenyl)- N- {2- [(3- methylphenyl)carbamoyl]- 1- benzofuran- 3- yl}- 1H- pyrazole- 3- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1oc2c(c1NC(=O)c1n[nH]c(c1)c1ccccc1O)cccc2

STK593965
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)N1CCCCCC1)C

STK593968
Synonyms: 2,4- dihydroxy- 1- (2- methoxyethyl)- 5- phenyl- 1,5- dihydro- 6H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 6- one
Smiles: COCCn1c(O)nc(c2c1=NC1=C(C2c2ccccc2)C(=O)c2c1cccc2)O

STK593970
Synonyms: 4- bromo- 2- {(E)- [(1,1- dioxidotetrahydrothiophen- 3- yl)imino]methyl}phenol
Smiles: Brc1ccc(c(c1)/C=N/C1CCS(=O)(=O)C1)O

STK593971
Synonyms: 2- benzyl- 5,6- dimethyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nc2nc(nn2c(c1C)O)Cc1ccccc1

STK593973
Synonyms: 5- (2- hydroxyphenyl)- N- {4- [(2- methylpiperidin- 1- yl)sulfonyl]phenyl}- 1H- pyrazole- 3- carboxamide
Smiles: CC1CCCCN1S(=O)(=O)c1ccc(cc1)NC(=O)c1n[nH]c(c1)c1ccccc1O

STK593974
Synonyms: 4- {(E)- [1- (pyridin- 2- yl)ethyl]diazenyl}benzoicacid
Smiles: CC(c1ccccn1)/N=N/c1ccc(cc1)C(=O)O

STK593978
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- chlorophenyl)- 5- (pyridin- 3- ylmethyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: Clc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C

STK852023
Synonyms: 2- [(4,6- diaminopyrimidin- 2- yl)sulfanyl]- N- (propan- 2- yl)acetamide
Smiles: CC(NC(=O)CSc1nc(N)cc(n1)N)C

STK593980
Synonyms: 2- [(3- chlorophenoxy)methyl]- 5- [4- (3- chlorophenyl)piperazin- 1- yl]- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1N1CCN(CC1)c1cccc(c1)Cl)COc1cccc(c1)Cl

STK852026
Synonyms: 8- amino- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)OCC(Cn1c(N)nc2c1c(=O)n(C)c(=O)n2C)O

STK593981
Synonyms: ethyl[4- hydroxy- 1- (4- methoxyphenyl)- 3- methyl- 1H- pyrazolo[3,4- b]pyridin- 6- yl]acetate
Smiles: CCOC(=O)Cc1cc(O)c2c(n1)n(nc2C)c1ccc(cc1)OC

STK593985
Synonyms: N- [(4- sulfamoylbenzyl)carbamoyl]- L- phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCc1ccc(cc1)S(=O)(=O)N

STK593989
Synonyms: N- [(3- methoxybenzyl)carbamoyl]- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCc1cccc(c1)OC

STK593995
Synonyms: 1- (3,4- dimethoxyphenyl)- 2- (3- methoxypropyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCCN1C(=O)c2c(C1c1ccc(c(c1)OC)OC)c(=O)c1c(o2)cccc1

STK852029
Synonyms: 6,8- dimethyl- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)/N=c\1/[nH]nc(s1)C

STK594002
Synonyms: N- [2- methyl- 5- (3- methyl[1,2,4]triazolo[3,4- a]phthalazin- 6- yl)phenyl]acetamide
Smiles: CC(=O)Nc1cc(ccc1C)c1nn2c(C)nnc2c2c1cccc2

STK852030
Synonyms: (5E)- 2- hydroxy- 5- {[1- (4- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/N=C(NC1=O)O

STK594005
Synonyms: 5- (3,4- dimethoxyphenyl)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- imino- 3,5- dihydro- 4H- chromeno[2,3- d]pyrimidin- 8- ol
Smiles: COc1ccc(cc1OC)CCn1cnc2c(c1=N)C(c1ccc(c(c1)OC)OC)c1c(O2)cc(cc1)O

STK594006
Synonyms: 2- methyl- 12- phenyl- 8,9,10,12- tetrahydro- 11H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 11- one
Smiles: Cc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CCCC2=O

STK594007
Synonyms: 5,6- di(furan- 2- yl)- N- (pyridin- 3- yl)furo[2,3- d]pyrimidin- 4- amine
Smiles: c1ccc(cn1)Nc1ncnc2c1c(c1ccco1)c(o2)c1ccco1

STK594012
Synonyms: N- ({3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]phenyl}carbonyl)glycine
Smiles: OC(=O)CNC(=O)c1cccc(c1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK852031
Synonyms: N- [2- (2- methoxyethyl)- 1,2,3,4- tetrahydropyrazino[1,2- a]benzimidazol- 8- yl]methanesulfonamide
Smiles: COCCN1CCn2c(C1)nc1c2ccc(c1)NS(=O)(=O)C

STK594013
Synonyms: 2- (1,3- benzothiazol- 2- yl)- N- (3- methoxyphenyl)pyridine- 3- carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cccnc1c1nc2c(s1)cccc2

STK594017
Synonyms: 1- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 2- (furan- 2- ylmethyl)- 5,7- dimethyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(cc(c1O)Br)C1N(Cc2ccco2)C(=O)c2c1c(=O)c1c(o2)c(C)cc(c1)C

STK594024
Synonyms: 2- [4- (2- ethoxyphenoxy)- 3- methyl- 1H- pyrazol- 5- yl]- 5- [(4- fluorobenzyl)oxy]phenol
Smiles: CCOc1ccccc1Oc1c(C)n[nH]c1c1ccc(cc1O)OCc1ccc(cc1)F

STK594029
Synonyms: 6- cyclopentyl- 1- (4- methoxyphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C1CCCC1

STK594034
Synonyms: 5- tert- butyl- N- (4- butylphenyl)- 3- (4- chlorophenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- amine
Smiles: CCCCc1ccc(cc1)Nc1cc(nc2n1nc(c2c1ccc(cc1)Cl)C)C(C)(C)C

STK594035
Synonyms: propyl4- ({2- methyl- 7- [(2- methylbenzyl)oxy]- 4- oxo- 4H- chromen- 3- yl}oxy)benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1C

STK852037
Synonyms: N- [4- (4- chlorophenyl)- 1,2,5- oxadiazol- 3- yl]- 2- (4- methoxyphenoxy)acetamide
Smiles: COc1ccc(cc1)OCC(=O)Nc1nonc1c1ccc(cc1)Cl

STK852038
Synonyms: 6,8- dimethyl- 4- oxo- N- [2- (phenylcarbamoyl)- 1- benzofuran- 3- yl]- 4H- chromene- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccccc1

STK594040
Synonyms: {(5S)- 5- [(4- acetylphenyl)carbamoyl]- 3- [4- (benzyloxy)phenyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: O=C([C@@]1(ON=C(C1)c1ccc(cc1)OCc1ccccc1)CC(=O)O)Nc1ccc(cc1)C(=O)C

STK594046
Synonyms: (5Z)- 5- benzylidene- 3- {2- oxo- 2- [2- (pyridin- 3- yl)piperidin- 1- yl]ethyl}- 1,3- thiazolidine- 2,4- dione
Smiles: O=C(N1CCCCC1c1cccnc1)CN1C(=O)S/C(=C\c2ccccc2)/C1=O

STK594047
Synonyms: 2- {[3- cyano- 6- (3,4- dimethoxyphenyl)pyridin- 2- yl]sulfanyl}- N- [2- (4- methoxyphenyl)ethyl]acetamide
Smiles: COc1ccc(cc1)CCNC(=O)CSc1nc(ccc1C#N)c1ccc(c(c1)OC)OC