Compounds

Showing 1501 through 1600 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1501 EDG-MED-90036822-22 molecule CC(CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(CN)OCCO −6.5 ± 0.4 4.7 ± 0.3
1502 EDJ-MED-1b5395f9-2 molecule COc1ccc2cncc(c2c1)NC(=O)[C@@H]3CN(Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C −6.5 ± 0.2 4.7 ± 0.1
1503 ERI-UCB-b3e6b0c2-1 molecule c1cc2cncc(c2cc1CN)NC(=O)[C@@H]3COc4c3cc(cc4)Cl −6.5 ± 0.2 4.7 ± 0.2
1504 MAT-POS-b3e365b9-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −6.51 ± 0.08 4.74 ± 0.06
1505 ALP-UNI-8e43a71e-12 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn(n5)C6CCNC6=O −6.5 ± 0.1 4.74 ± 0.10
1506 EDG-MED-ba1ac7b9-13 molecule CN1C[C@@H]2C[C@H]1CN2C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.51 ± 0.07 4.74 ± 0.05
1507 MAT-POS-89e65850-3 molecule COc1cc(c2cc(ccc2n1)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.3 4.7 ± 0.2
1508 RAL-THA-b9d6aec1-2 molecule CNS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl −6.5 ± 0.3 4.7 ± 0.2
1509 DAR-DIA-0d514e7d-15 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(ccc5F)F −6.5 ± 0.3 4.7 ± 0.2
1510 ALF-EVA-07677224-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)c5ccc(s5)F −6.5 ± 0.2 4.7 ± 0.1
1511 ALF-EVA-07677224-4 molecule CC1C(CCO1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −6.5 ± 0.3 4.7 ± 0.2
1512 ALP-POS-d3acb8cc-3 molecule C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.6 4.7 ± 0.4
1513 DAR-DIA-5ff57136-19 molecule CN(C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.5 ± 0.3 4.7 ± 0.2
1514 PET-UNK-2c6614b6-7 molecule c1cc2c(cc1Cl)[C@@H](CCS2(=O)=O)C(=O)Nc3cncc4c3cc(c(c4)F)F −6.5 ± 0.4 4.7 ± 0.3
1515 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −6.49 ± 0.10 4.73 ± 0.07
1516 LON-WEI-5e7d1b3e-36 molecule Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −6.5 ± 0.3 4.7 ± 0.2
1517 MIC-UNK-54748b58-2 molecule CNC(=O)CN1CC(c2cc(ccc2S1(=O)=O)Cl)(C(=O)Nc3cncc4c3cccc4)OC −6.5 ± 0.5 4.7 ± 0.3
1518 DAR-DIA-0587064e-20 molecule c1ccc(cc1)CCOc2cc(cc3c2OCCC3C(=O)Nc4cncc5c4cccc5)Cl −6.5 ± 0.2 4.7 ± 0.1
1519 NAU-LAT-4ce8bf23-3 molecule CC(=O)NC(c1cncc2c1cccc2)C(=O)Nc3cccc(c3)Cl −6.5 ± 0.4 4.7 ± 0.3
1520 MAT-POS-e9e99895-9 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)COc4ccc(cc4)C(=O)N −6.48 ± 0.08 4.72 ± 0.06
1521 MIC-UNK-16ccb665-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(F)F −6.5 ± 0.3 4.7 ± 0.2
1522 EDJ-MED-ba7e64f2-1 molecule c1cc2cncc(c2cc1O)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.5 ± 0.3 4.7 ± 0.2
1523 ED_-GRI-5b13fbe2-38 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCN5CCn6c(c(cn6)CN)C5 −6.5 ± 0.5 4.7 ± 0.4
1524 ALP-UNI-c3ef0aba-1 molecule c1ccc2c(c1)cncc2NC(=O)C3COCc4c3cccc4Cl −6.48 ± 0.07 4.72 ± 0.05
1525 PET-UNK-1320d94d-12 molecule CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N[C@@H](c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.2 4.7 ± 0.2
1526 DAR-DIA-0587064e-12 molecule CCCOc1cc(cc2c1OCCC2C(=O)Nc3cncc4c3cccc4)Cl −6.48 ± 0.06 4.72 ± 0.04
1527 MAT-POS-4223bc15-35 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)CCO −6.5 ± 0.2 4.7 ± 0.1
1528 MAT-POS-dc2604c4-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CNC5)C#N −6.5 ± 0.1 4.7 ± 0.1
1529 KAD-UNI-cb0f2bbc-16 molecule COc1cc(cc(c1OCC(=O)N)OC)CNC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.5 ± 0.2 4.7 ± 0.1
1530 MAT-POS-a3f7f96a-9 molecule COc1ccc(cc1OCC(=O)N)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.5 ± 0.2 4.7 ± 0.1
1531 VLA-UNK-c65c1026-3 molecule c1ccc2c(c1)cncc2N3C(=O)CCC4(C3=O)CNc5c4cc(cc5)Cl −6.5 ± 0.2 4.7 ± 0.1
1532 ALP-UNI-0676e700-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)c6n[nH]nn6 −6.5 ± 0.3 4.7 ± 0.2
1533 EDJ-MED-d1555997-2 molecule Cc1cccc2c1c(cnc2)NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C −6.5 ± 0.2 4.7 ± 0.2
1534 ALP-UNI-8e43a71e-10 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CC(CO)(F)F −6.46 ± 0.07 4.71 ± 0.05
1535 MIC-UNK-45817b9b-2 molecule CN1c2ccc(cc2C(CC1=O)C(=O)Nc3cncc4c3cccc4)Cl −6.5 ± 0.3 4.7 ± 0.2
1536 EDJ-MED-37aac4bd-5 molecule COC1(CCOc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.1 4.7 ± 0.1
1537 MAT-POS-5f1400cf-2 molecule CN(CCO)c1ccc(cn1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.46 ± 0.07 4.71 ± 0.05
1538 ERI-UCB-8d4e5055-1 molecule c1cc2c(cc1CN3CCNCC3)cncc2NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl −6.5 ± 0.3 4.7 ± 0.2
1539 EDG-MED-90036822-47 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −6.5 ± 0.6 4.7 ± 0.4
1540 DAR-DIA-4987d2cd-4 molecule c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4CN3c5c(c(=O)c5=O)O)Cl −6.5 ± 0.1 4.70 ± 0.08
1541 ALP-UNI-8e43a71e-7 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCC#N −6.45 ± 0.07 4.70 ± 0.05
1542 JOH-UNI-21fd6073-4 molecule c1ccc2c(c1)cncc2N(CC(=O)ON3C(=O)CCC3=O)C(=O)C4COc5c4cc(cc5)Cl −6.5 ± 0.2 4.7 ± 0.1
1543 EDJ-MED-9e38fd34-2 molecule C[C@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.3 4.7 ± 0.3
1544 EDJ-MED-841e0cf0-5 molecule c1cc2cncc(c2cc1F)NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 −6.4 ± 0.2 4.7 ± 0.2
1545 MIC-UNK-d854bf4c-6 molecule CS(=O)(=O)N1CCC2(CC1)CN(C(=O)C2c3ccc(c(c3)Cl)Cl)c4cncc5c4cccc5 −6.4 ± 0.1 4.7 ± 0.1
1546 RAL-THA-c9f97604-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4[C@@H]5OC[C@H]3O5)Cl −6.4 ± 0.3 4.7 ± 0.2
1547 EDJ-MED-6d9ff7d0-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NCCc5ccccn5 −6.4 ± 0.3 4.7 ± 0.2
1548 BEN-DND-11faade0-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CNS(=O)(=O)c4c3cccc4 −6.4 ± 0.2 4.7 ± 0.1
1549 EDJ-MED-d203f206-14 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6[nH]nnn6 −6.4 ± 0.4 4.7 ± 0.3
1550 EDJ-MED-923a35c2-4 molecule CC1(CN(Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F −6.42 ± 0.07 4.68 ± 0.05
1551 PET-UNK-9bf1291a-5 molecule CO[C@]1(CN(Cc2c1cc(cc2)Cl)CC#N)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.3 4.7 ± 0.2
1552 EDJ-MED-f893e2a1-8 molecule CCNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.1 4.7 ± 0.1
1553 DAR-DIA-5ff57136-10 molecule c1ccc2c(c1)cncc2N(C#CC#N)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.4 ± 0.1 4.67 ± 0.08
1554 ALP-POS-67d5babe-4 molecule CS(=O)(=O)CC1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.3 4.7 ± 0.2
1555 MAT-POS-2905de8c-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)N −6.4 ± 0.3 4.7 ± 0.2
1556 EDJ-MED-93390d0c-3 molecule CO[C@@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O)C −6.4 ± 0.3 4.7 ± 0.2
1557 NIR-THE-5be8b355-1 molecule c1ccc2c(c1)cncc2N(CCc3c[nH]c(=O)[nH]c3=O)C(=O)C4CCOc5c4ccc(c5)Cl −6.41 ± 0.07 4.67 ± 0.05
1558 ALP-POS-6d96567b-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3ccc(c4)Cl)CNCc5c[nH]c(=O)[nH]c5=O −6.4 ± 0.2 4.7 ± 0.2
1559 RAL-THA-05e671eb-8 molecule COc1ccc2c(c1)C(CCO2)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.3 4.7 ± 0.2
1560 EDJ-MED-cf4b0d25-4 molecule CC(=O)NC(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 −6.40 ± 0.09 4.67 ± 0.07
1561 LON-WEI-5e7d1b3e-39 molecule CC(CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −6.4 ± 0.4 4.7 ± 0.3
1562 EDG-MED-4c68219f-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CC(C5)NC6COC6 −6.4 ± 0.4 4.7 ± 0.3
1563 KAD-UNI-b13decd3-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5cn(nn5)CC6CCCO6 −6.4 ± 0.2 4.7 ± 0.1
1564 EDJ-MED-ee07cf00-4 molecule CC(C(=O)NC(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 −6.40 ± 0.09 4.66 ± 0.07
1565 EDJ-MED-139368ae-5 molecule CN1CCN(CC1)S(=O)(=O)N2Cc3ccccc3C(C2)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.2 4.7 ± 0.1
1566 MAT-POS-d8472c4f-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl −6.4 ± 0.4 4.7 ± 0.3
1567 EDJ-MED-139368ae-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cccc4)S(=O)(=O)N5CCOCC5 −6.4 ± 0.2 4.7 ± 0.1
1568 MAT-POS-4223bc15-16 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCCC5CO −6.40 ± 0.08 4.66 ± 0.06
1569 VLA-UNK-c65c1026-6 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CNC3=O)COc5c4cc(cc5)Cl −6.4 ± 0.2 4.7 ± 0.1
1570 PET-UNK-dd44aeb6-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3C#N)Cl −6.4 ± 0.3 4.7 ± 0.2
1571 RAL-THA-05e671eb-33 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4)F −6.4 ± 0.3 4.7 ± 0.2
1572 ALP-UNI-8e43a71e-8 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCCO −6.39 ± 0.05 4.65 ± 0.04
1573 EDJ-MED-923a35c2-5 molecule COC1(CN(Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F −6.4 ± 0.1 4.7 ± 0.1
1574 RAL-THA-4aa06b95-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)C(=O)CO −6.4 ± 0.4 4.7 ± 0.3
1575 DAR-DIA-0587064e-7 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCc4ccccc4Cl −6.4 ± 0.2 4.7 ± 0.1
1576 ERI-UCB-b3e6b0c2-14 molecule c1cc2c(cc1CN3CCNCC3)cncc2NC(=O)[C@@H]4COc5c4cc(cc5)Cl −6.4 ± 0.2 4.6 ± 0.2
1577 EDG-MED-90036822-102 molecule CCN(CC)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F −6.4 ± 0.4 4.6 ± 0.3
1578 BEN-DND-d1eb1f41-8 molecule c1ccc2c(c1)cncc2N3CCN4Cc5ccc(cc5[C@@H]4C3=O)Cl −6.4 ± 0.4 4.6 ± 0.3
1579 MAT-POS-64942dd0-2 molecule CS(=O)(=O)N1Cc2cc(c(cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F −6.4 ± 0.2 4.6 ± 0.1
1580 MAT-POS-45b13633-2 molecule CNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.38 ± 0.07 4.64 ± 0.05
1581 BEN-DND-d1eb1f41-15 molecule c1ccc2c(c1)cncc2N3CCC(C3=O)c4ccc(c(c4)Cl)F −6.4 ± 0.2 4.6 ± 0.1
1582 KAD-UNI-8a629cb0-18 molecule Cc1ccn2c(n1)nc(n2)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.4 ± 0.4 4.6 ± 0.3
1583 EDJ-MED-f893e2a1-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC5CCOCC5 −6.37 ± 0.10 4.64 ± 0.07
1584 MAT-POS-e6dd326d-3 molecule CN(C)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.1 4.64 ± 0.07
1585 ALP-UNI-8e43a71e-13 molecule Cn1c(=O)cc2c(n1)CCN(C2)C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.37 ± 0.03 4.64 ± 0.02
1586 PET-UNK-6314f867-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3)C#N −6.4 ± 0.2 4.6 ± 0.1
1587 MAT-POS-e6dd326d-2 molecule CNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.1 4.64 ± 0.08
1588 ALP-POS-5bb456a5-7 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 −6.36 ± 0.07 4.64 ± 0.05
1589 RAL-THA-b9d6aec1-1 molecule CN(C)S(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl −6.4 ± 0.2 4.6 ± 0.2
1590 DAR-DIA-0d514e7d-19 molecule C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.4 4.6 ± 0.3
1591 MAT-POS-24589f88-7 molecule CNC(=O)COc1ccc(cc1OC)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.36 ± 0.08 4.63 ± 0.06
1592 EDJ-MED-1b5395f9-6 molecule CS(=O)(=O)N1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl −6.4 ± 0.2 4.6 ± 0.2
1593 EDJ-MED-611d11e7-3 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −6.36 ± 0.08 4.63 ± 0.06
1594 NIR-WEI-f9286bb6-4 molecule CC(C)(C)NC(=O)C(c1cncc2c1cccc2)N(Cc3ccccc3Cl)C(=O)C=C −6.36 ± 0.08 4.63 ± 0.05
1595 PET-UNK-1320d94d-27 molecule CN([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4C[C@@H](O4)C(=O)N5CCCC5 −6.4 ± 0.2 4.6 ± 0.2
1596 NAU-LAT-0543f7f2-10 molecule CC(=O)NCCOc1cc(cc2c1OCCC2C(=O)Nc3cncc4c3cccc4)Cl −6.4 ± 0.3 4.6 ± 0.2
1597 EDJ-MED-ee07cf00-3 molecule Cn1c2c(cn1)c(=O)n(cn2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −6.35 ± 0.09 4.63 ± 0.07
1598 MAT-POS-24589f88-6 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5c(nc6ccccn6c5=O)N7CCOCC7 −6.35 ± 0.10 4.63 ± 0.07
1599 RAL-THA-2d450e86-19 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3F)Cl −6.35 ± 0.10 4.62 ± 0.07
1600 EDJ-MED-40433386-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6ncnn6C5 −6.3 ± 0.3 4.6 ± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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