Compounds

Showing 501 through 600 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
501 KAD-UNI-8a629cb0-25 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6CCS(=O)(=O)C[C@H]6C5 −8.2 ± 0.4 6.0 ± 0.3
502 LON-WEI-5e7d1b3e-45 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 −8.2 ± 0.4 6.0 ± 0.3
503 LON-WEI-4d77710c-52 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −8.2 ± 0.3 6.0 ± 0.2
504 EDJ-MED-6d9ff7d0-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NCCC5CCC(=O)N5 −8.2 ± 0.1 6.0 ± 0.1
505 VLA-UCB-05e51b3f-16 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −8.2 ± 0.5 6.0 ± 0.3
506 MAT-POS-b5746674-103 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)c4ccccc4F −8.2 ± 0.2 6.0 ± 0.1
507 MIC-UNK-45817b9b-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc4)Cl −8.23 ± 0.09 6.00 ± 0.07
508 ALP-UNI-8e43a71e-15 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6C5CC(C6)C(=O)N −8.2 ± 0.1 6.00 ± 0.08
509 PET-UNK-7be94445-2 molecule c1ccc2c(c1)cncc2N3CCN(C3=O)c4cccc(c4)Cl −8.2 ± 0.2 6.0 ± 0.2
510 RUB-POS-1325a9ea-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)F −8.2 ± 0.2 6.0 ± 0.1
511 DAR-DIA-0cde14eb-46 molecule CC1(CC1)c2cccc(c2)CC(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2 6.0 ± 0.1
512 MAT-POS-b5746674-35 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCN(Cc3ccco3)C4CCCC4 −8.2 ± 0.2 6.0 ± 0.2
513 MAT-POS-3b92565d-1 molecule COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl −8.21 ± 0.09 5.98 ± 0.06
514 LON-WEI-4d77710c-21 molecule Cc1cccnc1NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −8.2 ± 0.1 5.98 ± 0.10
515 EDJ-MED-d203f206-34 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]5CO −8.2 ± 0.3 6.0 ± 0.2
516 FRA-DIA-b66f7109-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)OC5CC(=O)N5 −8.2 ± 0.3 6.0 ± 0.2
517 MAT-POS-2905de8c-3 molecule CN(C)C1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
518 MIC-UNK-5a93dd5f-12 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)N4CCC(C4)N5CCCCC5 −8.2 ± 0.1 6.0 ± 0.1
519 JAG-UCB-706446eb-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCCOC5 −8.2 ± 0.3 6.0 ± 0.2
520 JOH-UNI-ea72002d-5 molecule C=CS(=O)(=O)NN(c1cncc2c1cccc2)C(=O)C3(CCOc4c3cc(cc4)Cl)F −8.2 ± 0.3 6.0 ± 0.2
521 MIC-UNK-50cce87d-4 molecule COc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −8.2 ± 0.2 6.0 ± 0.1
522 ALP-POS-d3acb8cc-1 molecule C[C@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
523 EDJ-MED-d203f206-41 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO −8.2 ± 0.5 6.0 ± 0.3
524 MIC-UNK-50cce87d-12 molecule COc1cccc2c1c(cnc2)N3CCCC(C3=O)c4cccc(c4)Cl −8.2 ± 0.1 5.97 ± 0.09
525 MAT-POS-4223bc15-39 molecule Cc1c(con1)C(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −8.20 ± 0.07 5.97 ± 0.05
526 DAR-DIA-0d514e7d-35 molecule C[C@H]1[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
527 RAL-THA-8416115c-7 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)CC(=O)O −8.2 ± 0.4 6.0 ± 0.3
528 MAT-POS-4223bc15-6 molecule CCS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.19 ± 0.08 5.97 ± 0.06
529 MAT-POS-f7918075-2 molecule c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)Cl −8.19 ± 0.07 5.97 ± 0.05
530 MAT-POS-4223bc15-33 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)CC#N −8.19 ± 0.07 5.97 ± 0.05
531 DAR-DIA-6a508060-2 molecule c1ccc2c(c1)cncc2OC(=O)C3CCOc4c3cc(cc4)Cl −8.19 ± 0.07 5.97 ± 0.05
532 MIC-UNK-50cce87d-7 molecule Cc1cccc2c1c(cnc2)N3CCC(C3=O)c4cccc(c4)Cl −8.2 ± 0.2 6.0 ± 0.2
533 DAR-DIA-6a508060-11 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(C3)C4CC4Cl −8.2 ± 0.3 6.0 ± 0.2
534 EDJ-MED-37aac4bd-4 molecule COC1(CCOc2c1cc(cc2F)F)C(=O)Nc3cncc4c3cccc4 −8.18 ± 0.07 5.96 ± 0.05
535 MAT-POS-dd3ad2b5-5 molecule CNC(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.18 ± 0.09 5.96 ± 0.06
536 ALP-UNI-0676e700-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccn6c(c5)nnn6 −8.2 ± 0.3 6.0 ± 0.3
537 MAK-UNK-ffc90da7-7 molecule CC(C)OCC(C(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC −8.2 ± 0.2 6.0 ± 0.1
538 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −8.18 ± 0.10 5.96 ± 0.07
539 ALP-UNI-0676e700-14 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6c(cnn6c5)C#N −8.2 ± 0.3 6.0 ± 0.2
540 ROB-UNI-611831f5-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cc(c(=O)[nH]c4)N −8.2 ± 0.1 5.95 ± 0.09
541 MIC-UNK-cdc2493e-11 molecule CN(C)C1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
542 MAT-POS-4223bc15-2 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.17 ± 0.05 5.95 ± 0.04
543 ALP-POS-fe871b40-11 molecule COC1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 −8.17 ± 0.06 5.95 ± 0.05
544 KAD-UNI-cb0f2bbc-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5ccc(cc5)N6CC(=O)NC(=O)C6 −8.2 ± 0.1 5.95 ± 0.09
545 MAK-UNK-8be7dca9-1 molecule c1cc2c(cc1CN3CCNCC3)cncc2NC(=O)C4CCOc5c4cc(cc5)Cl −8.2 ± 0.2 5.9 ± 0.2
546 MAT-POS-fce787c2-9 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC −8.2 ± 0.4 5.9 ± 0.3
547 BEN-BAS-c2bc0d80-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 −8.2 ± 0.5 5.9 ± 0.4
548 MAT-POS-e6dd326d-7 molecule CCOC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.4 5.9 ± 0.3
549 LEE-CAM-7ab9b158-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)COCc5[nH]c(=O)c6c(n5)CCOC6 −8.2 ± 0.4 5.9 ± 0.3
550 MIC-UNK-08fa0751-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(CO)(F)F −8.2 ± 0.3 5.9 ± 0.2
551 EDJ-MED-d08626de-5 molecule COC1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −8.16 ± 0.09 5.94 ± 0.07
552 EDJ-MED-37aac4bd-6 molecule COCC1(CCOc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.1 5.94 ± 0.08
553 EDJ-MED-6d9ff7d0-4 molecule COCCCN[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2 5.9 ± 0.1
554 ALP-POS-477dc5b7-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −8.1 ± 0.4 5.9 ± 0.3
555 PET-UNK-29afea89-1 molecule C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3 5.9 ± 0.3
556 VLA-UNK-9a7dc93f-5 molecule COC(c1cc(c(c(c1)Cl)F)F)C(=O)Nc2cncc3c2cccc3 −8.1 ± 0.4 5.9 ± 0.3
557 ALP-UNI-dbb9503d-1 molecule COC1(CCN(C1=O)c2cncc3c2cccc3)c4cccc(c4)Cl −8.14 ± 0.07 5.93 ± 0.05
558 VLA-UCB-05e51b3f-10 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −8.14 ± 0.09 5.93 ± 0.07
559 MAT-POS-b5746674-102 molecule CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 −8.1 ± 0.2 5.9 ± 0.1
560 ADA-UCB-dc2b944c-12 molecule Cc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.1 ± 0.3 5.9 ± 0.2
561 DAR-DIA-23e5a6a0-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CCC6(N5)CCC6)Cl −8.1 ± 0.2 5.9 ± 0.2
562 RAL-THA-6e4c80cf-2 molecule CCOC(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.13 ± 0.08 5.92 ± 0.06
563 DAR-DIA-5ff57136-12 molecule c1ccc2c(c1)cncc2N(C#CC3CCCN3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −8.1 ± 0.2 5.9 ± 0.1
564 VLA-UCB-34f3ed0c-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5cc[nH]n5 −8.1 ± 0.2 5.9 ± 0.2
565 ED_-GRI-5b13fbe2-57 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5ccn[nH]5 −8.1 ± 0.3 5.9 ± 0.2
566 MAT-POS-a13804f0-1 molecule Cc1nc2n(n1)CC(CC2)C(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −8.12 ± 0.08 5.91 ± 0.06
567 ED_-GRI-5b13fbe2-42 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CF)N −8.1 ± 0.6 5.9 ± 0.4
568 KAD-UNI-8a629cb0-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6nccn6C5 −8.1 ± 0.4 5.9 ± 0.3
569 MAT-POS-24589f88-3 molecule CS(=O)(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl −8.12 ± 0.08 5.91 ± 0.06
570 MAK-UNK-8be7dca9-6 molecule c1cc(c2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl)CN −8.1 ± 0.4 5.9 ± 0.3
571 LAU-MED-88a3970a-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCCO)Cl −8.1 ± 0.2 5.9 ± 0.1
572 MIC-UNK-cdc2493e-24 molecule c1ccc2c(c1)cncc2NC(=O)N(CCn3cncn3)c4cccc(c4)Cl −8.1 ± 0.4 5.9 ± 0.3
573 KAD-UNI-8a629cb0-22 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 −8.1 ± 0.4 5.9 ± 0.3
574 DAR-DIA-2964957d-1 molecule c1ccc2c(c1)cncc2Nc3c(c(=O)c3=O)Nc4cccc(c4)Cl −8.1 ± 0.6 5.9 ± 0.5
575 BEN-BAS-c2bc0d80-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3[nH]c(cc4=O)Cl −8.1 ± 0.3 5.9 ± 0.2
576 KAD-UNI-b13decd3-7 molecule CC(=O)OCCn1cc(cn1)CNC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.2 5.9 ± 0.1
577 RAL-THA-4aa06b95-5 molecule COCC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.2 5.9 ± 0.1
578 KAD-UNI-8a629cb0-39 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)COC6 −8.1 ± 0.4 5.9 ± 0.3
579 LON-WEI-9739a092-6 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5 −8.10 ± 0.09 5.90 ± 0.06
580 DAR-DIA-e7614d05-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)OC(F)(F)F −8.1 ± 0.3 5.9 ± 0.2
581 RAL-THA-05e671eb-35 molecule COc1cccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.4 5.9 ± 0.3
582 MAT-POS-4223bc15-25 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)N −8.09 ± 0.06 5.90 ± 0.05
583 ALP-UNI-c3ef0aba-2 molecule c1ccc2c(c1)cncc2NC(=O)C3COCc4c3cc(cc4)Cl −8.1 ± 0.1 5.90 ± 0.09
584 RAL-THA-4aa06b95-6 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)CCO −8.1 ± 0.3 5.9 ± 0.2
585 MAT-POS-4223bc15-7 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5COC5 −8.09 ± 0.06 5.89 ± 0.05
586 MIC-UNK-c66144cb-3 molecule c1ccc2c(c1)cncc2NC(=O)C(CCC3CCCCC3)c4cccc(c4)Cl −8.1 ± 0.2 5.9 ± 0.2
587 MAT-POS-173a45da-1 molecule c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)c4cccc(c4)Cl −8.08 ± 0.09 5.89 ± 0.07
588 EDG-MED-90036822-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(=O)N(C5)CCCN −8.1 ± 0.3 5.9 ± 0.2
589 EDJ-MED-f893e2a1-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCC5(CCC5)CO −8.1 ± 0.1 5.9 ± 0.1
590 DAR-DIA-6a508060-1 molecule c1ccc2c(c1)cncc2CC(=O)C3CCOc4c3cc(cc4)Cl −8.1 ± 0.5 5.9 ± 0.4
591 LON-WEI-5e7d1b3e-43 molecule Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −8.1 ± 0.3 5.9 ± 0.2
592 DAR-DIA-23e5a6a0-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)CCC6)Cl −8.1 ± 0.3 5.9 ± 0.2
593 ADA-UCB-dc2b944c-10 molecule Cc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.1 ± 0.2 5.9 ± 0.2
594 ALP-UNI-0676e700-19 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCS(=O)(=O)CC5)C#N −8.1 ± 0.3 5.9 ± 0.2
595 MAT-POS-fce787c2-10 molecule CN(C)CCNC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −8.1 ± 0.3 5.9 ± 0.2
596 LON-WEI-5e7d1b3e-4 molecule Cc1ccc(c(c1)Br)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −8.1 ± 0.2 5.9 ± 0.2
597 ALF-EVA-0b412456-7 molecule c1cc2c(cc1OCC3CC3)cncc2NC(=O)Cc4cc(cc(c4)Cl)OC5CC(=O)N5 −8.1 ± 0.2 5.9 ± 0.1
598 VLA-UCB-1dbca3b4-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −8.07 ± 0.07 5.88 ± 0.05
599 EDJ-MED-40433386-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)C#N −8.1 ± 0.4 5.9 ± 0.3
600 PET-UNK-acd70dee-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nccs5 −8.1 ± 0.2 5.9 ± 0.1
Last updated 2021-06-04T18:13:56.580002+00:00
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