Compounds

Showing 1601 through 1700 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1601 LAU-MED-88a3970a-9 molecule CS(=O)(=O)CCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −6.3 ± 0.4 4.6 ± 0.3
1602 MAT-POS-4223bc15-34 molecule Cn1ccnc1N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −6.3 ± 0.1 4.62 ± 0.08
1603 VLA-UCB-05e51b3f-15 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)CCl −6.3 ± 0.4 4.6 ± 0.3
1604 ERI-UCB-ce40166b-6 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)OC4CCC(=O)N4 −6.34 ± 0.09 4.62 ± 0.06
1605 MAT-POS-64942dd0-1 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CN(Cc4c3cc(c(c4)F)Cl)S(=O)(=O)C −6.3 ± 0.3 4.6 ± 0.2
1606 DAR-DIA-0587064e-14 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4OCC5CC5)Cl −6.3 ± 0.1 4.6 ± 0.1
1607 MAT-POS-de59a476-3 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)OCCN4CCOCC4=O −6.3 ± 0.4 4.6 ± 0.3
1608 RAL-THA-2d450e86-28 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3C#N)Cl −6.3 ± 0.6 4.6 ± 0.4
1609 RAL-THA-2d450e86-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)Cl −6.33 ± 0.10 4.61 ± 0.07
1610 PET-UNK-b566c0b0-9 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)F)OC)Cl −6.3 ± 0.2 4.6 ± 0.1
1611 KAD-UNI-b13decd3-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5ccccc5OCC(=O)N −6.3 ± 0.1 4.6 ± 0.1
1612 KAD-UNI-877d7bed-3 molecule CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3ccc(=O)[nH]c3=O)COc4cc(cc5c4OCCC5C(=O)Nc6cncc7c6cccc7)Cl)C −6.33 ± 0.09 4.61 ± 0.07
1613 MAT-POS-5369c344-7 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCc5ccncc5)Cl −6.33 ± 0.05 4.61 ± 0.03
1614 MIC-UNK-54748b58-1 molecule CNC(=O)CN1CC(c2cc(ccc2S1(=O)=O)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.2 4.6 ± 0.1
1615 MAT-POS-a3f7f96a-7 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5cnn(c5)C6CCS(=O)(=O)C6 −6.3 ± 0.2 4.6 ± 0.1
1616 MAT-POS-afd4d4fd-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl −6.32 ± 0.09 4.61 ± 0.07
1617 MIC-UNK-bcd487e9-3 molecule c1ccc2c(c1)cncc2NC(=O)N(CC3CCCC3)c4cccc(c4)Cl −6.3 ± 0.4 4.6 ± 0.3
1618 JOH-UNI-6fede743-2 molecule c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)C(F)F −6.3 ± 0.4 4.6 ± 0.3
1619 EDJ-MED-ee07cf00-6 molecule Cn1cc(cn1)C2=NOC(C2)C(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −6.32 ± 0.05 4.60 ± 0.03
1620 EDJ-MED-841e0cf0-7 molecule CNS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl −6.3 ± 0.1 4.60 ± 0.09
1621 ALF-EVA-0b412456-1 molecule c1cc2cncc(c2cc1Cl)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 −6.32 ± 0.06 4.60 ± 0.04
1622 EDG-MED-971238d3-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO −6.3 ± 0.4 4.6 ± 0.3
1623 EDG-MED-90036822-86 molecule CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.3 4.6 ± 0.3
1624 MAT-POS-61f37a1a-6 molecule COc1cc(cc(c1OCC(=O)N)OC)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.31 ± 0.07 4.60 ± 0.05
1625 KAD-UNI-cb0f2bbc-19 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5cc6c(nc5)OCC(=O)N6 −6.3 ± 0.2 4.6 ± 0.1
1626 LON-WEI-5e7d1b3e-31 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3 −6.3 ± 0.4 4.6 ± 0.3
1627 EDJ-MED-009f762b-3 molecule Cn1cc(nn1)CN2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −6.31 ± 0.09 4.60 ± 0.07
1628 EDJ-MED-670ad2ee-11 molecule C[C@]1(CN(Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F −6.3 ± 0.2 4.6 ± 0.1
1629 PET-UNK-03fd2068-2 molecule c1cc2c(cc1F)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −6.3 ± 0.3 4.6 ± 0.2
1630 MAT-POS-ec6d90b7-4 molecule CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F −6.30 ± 0.10 4.59 ± 0.07
1631 ALF-EVA-07677224-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)c5[nH]cnn5 −6.3 ± 0.2 4.6 ± 0.2
1632 ALP-UNI-8e43a71e-9 molecule CN(C1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −6.3 ± 0.3 4.6 ± 0.2
1633 MAT-POS-66a736cf-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl −6.3 ± 0.3 4.6 ± 0.2
1634 ALP-UNI-3496895b-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(C5=O)c6ccn[nH]6 −6.3 ± 0.3 4.6 ± 0.2
1635 MAT-POS-9db1e783-3 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −6.29 ± 0.09 4.58 ± 0.07
1636 MAT-POS-281d2ee9-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]nnn4 −6.29 ± 0.10 4.58 ± 0.07
1637 MAT-POS-11ebe265-1 molecule c1cc2cncc(c2cc1F)N3C(=O)C4(c5cc(ccc5NC4=O)Cl)NC3=O −6.3 ± 0.2 4.6 ± 0.1
1638 KAD-UNI-b13decd3-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5ccc(c(c5)F)S(=O)(=O)N −6.3 ± 0.1 4.58 ± 0.10
1639 KAD-UNI-8a629cb0-41 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCS(=O)(=O)CC5)C#N −6.3 ± 0.5 4.6 ± 0.4
1640 EDG-MED-90036822-68 molecule CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5CC5 −6.3 ± 0.4 4.6 ± 0.3
1641 MIC-UNK-89b52b17-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]34c5cc(ccc5OC[C@@H]3OCO4)Cl −6.3 ± 0.2 4.6 ± 0.2
1642 LON-WEI-5e7d1b3e-54 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4 −6.3 ± 0.3 4.6 ± 0.2
1643 RAL-THA-2d450e86-37 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3F −6.28 ± 0.10 4.57 ± 0.07
1644 ALP-POS-fe871b40-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cn4)Cl −6.3 ± 0.2 4.6 ± 0.1
1645 MAT-POS-f9802937-1 molecule CN1c2ccc(cc2C(CC1=O)(C(=O)Nc3cncc4c3cccc4)OC)Cl −6.3 ± 0.2 4.6 ± 0.1
1646 MAT-POS-e9e99895-2 molecule CC(C)N1CCOC(C1)C(=O)NC(C)(c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.27 ± 0.06 4.57 ± 0.04
1647 DAR-DIA-0587064e-16 molecule COCCOc1cc(cc2c1NCCC2C(=O)Nc3cncc4c3cccc4)Cl −6.27 ± 0.07 4.57 ± 0.05
1648 EDJ-MED-4c7486ba-1 molecule CN(C)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.4 4.6 ± 0.3
1649 EDG-MED-4c68219f-18 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC(CC5)C(=O)O −6.3 ± 0.6 4.6 ± 0.4
1650 PET-UNK-1320d94d-15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCC5 −6.3 ± 0.3 4.6 ± 0.2
1651 MAT-POS-61f37a1a-7 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5cn(nn5)CC6CCOC6 −6.27 ± 0.06 4.57 ± 0.04
1652 EDJ-MED-670ad2ee-10 molecule CNS(=O)(=O)N1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl −6.3 ± 0.2 4.6 ± 0.1
1653 JOH-UNI-ea72002d-6 molecule C=CS(=O)(=O)NN(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl −6.3 ± 0.3 4.6 ± 0.2
1654 MAT-POS-932d1078-5 molecule COC[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.27 ± 0.10 4.57 ± 0.07
1655 EDG-MED-ba1ac7b9-12 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5c6[nH]nnn6 −6.27 ± 0.09 4.56 ± 0.06
1656 RAL-THA-1d44ff04-4 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(=O)N −6.3 ± 0.4 4.6 ± 0.3
1657 MIC-UNK-5a93dd5f-1 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)N4CC5CCCC5C4 −6.3 ± 0.2 4.6 ± 0.2
1658 EDJ-MED-e9a22d5d-2 molecule CNS(=O)(=O)N1Cc2ccc(cc2C(C1)(C(=O)Nc3cncc4c3cccc4)OCC#C)Cl −6.3 ± 0.1 4.56 ± 0.10
1659 BEN-DND-d1eb1f41-18 molecule c1ccc2c(c1)cncc2NC(=S)[C@@H]3CCOc4c3cc(c(c4)F)Cl −6.3 ± 0.4 4.6 ± 0.3
1660 ALP-POS-477dc5b7-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCC5CC5 −6.26 ± 0.09 4.56 ± 0.06
1661 ALF-EVA-82cf4849-4 molecule COC1(CCCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)Cl −6.3 ± 0.2 4.6 ± 0.2
1662 ALP-UNI-58319883-2 molecule c1ccc2c(c1)cncc2N3CCOC(C3=O)c4cccc(c4)Cl −6.3 ± 0.2 4.6 ± 0.2
1663 BEN-DND-a7517465-3 molecule c1cc2cncc(c2c(c1)Cl)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.3 ± 0.3 4.6 ± 0.2
1664 MIC-UNK-50cce87d-6 molecule c1cc(cc(c1)Cl)C2CCN(C2=O)c3cncc4c3c(ccc4)Cl −6.3 ± 0.1 4.56 ± 0.08
1665 EDJ-MED-4c7486ba-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N −6.3 ± 0.4 4.6 ± 0.3
1666 MAT-POS-e9e99895-4 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)c4cc(n(n4)C)C#N −6.25 ± 0.08 4.56 ± 0.06
1667 JOH-UNI-ee5ed7c8-7 molecule CN(c1cncc2c1cccc2)C(=O)C(CC#N)c3cccc(c3)Cl −6.3 ± 0.3 4.6 ± 0.3
1668 VLA-UNK-3a43cd95-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(COc5c4cc(c(c5)F)Cl)NC3=O −6.3 ± 0.2 4.6 ± 0.1
1669 MAT-POS-e6dd326d-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN −6.3 ± 0.2 4.6 ± 0.1
1670 MAT-POS-a3f7f96a-6 molecule CC1(CCS(=O)(=O)C1)n2cc(cn2)CNCC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.3 ± 0.1 4.6 ± 0.1
1671 EDG-MED-ba1ac7b9-33 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 −6.25 ± 0.07 4.55 ± 0.05
1672 MAT-POS-61f37a1a-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5cnc(nc5)N6CCOCC6 −6.25 ± 0.09 4.55 ± 0.06
1673 EDG-MED-5d232de5-8 molecule c1ccc2c(c1)cncc2N3CC[C@H](C3=O)c4cccc(c4)Cl −6.24 ± 0.10 4.55 ± 0.07
1674 VLA-UCB-05e51b3f-13 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −6.2 ± 0.2 4.5 ± 0.2
1675 ALP-POS-f1807566-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CNC(=O)c4c3cc(cc4F)F −6.2 ± 0.1 4.54 ± 0.09
1676 BEN-DND-a7517465-6 molecule COc1cccc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.2 ± 0.4 4.5 ± 0.3
1677 DAR-DIA-b4e9dd8d-4 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CNc4c3cc(cc4)Cl −6.2 ± 0.2 4.5 ± 0.1
1678 EDG-MED-90036822-11 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N −6.2 ± 0.3 4.5 ± 0.2
1679 EDJ-MED-d08626de-1 molecule CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.23 ± 0.10 4.54 ± 0.07
1680 MIC-UNK-460e637d-2 molecule CN1CCN(CC1COC2CC(=O)N2)C(=O)Cc3cncc4c3cccc4 −6.2 ± 0.4 4.5 ± 0.3
1681 ALF-EVA-650655fc-5 molecule CNCc1ccc2cncc(c2c1)NC(=O)N(CCC3CCCCC3)c4cc(cc(c4)Cl)OC5CC(=O)N5 −6.23 ± 0.07 4.54 ± 0.05
1682 ED_-GRI-5b13fbe2-41 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](CN)F −6.2 ± 0.4 4.5 ± 0.3
1683 MAT-POS-45b13633-3 molecule CN(C)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.23 ± 0.07 4.54 ± 0.05
1684 EDG-MED-90036822-81 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CC5CNC5)F −6.2 ± 0.3 4.5 ± 0.2
1685 VLA-UCB-1dbca3b4-13 molecule c1ccc2c(c1)cncc2N3C(=O)CCN(C3=O)c4cccc(c4)Cl −6.2 ± 0.1 4.53 ± 0.08
1686 RAL-THA-2d450e86-32 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)C(F)(F)F −6.22 ± 0.10 4.53 ± 0.07
1687 MAT-POS-24589f88-11 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(O5)C(=O)N6CCCC6 −6.22 ± 0.06 4.53 ± 0.04
1688 JOH-UNI-ee5ed7c8-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C(=O)/C=C/C#N −6.2 ± 0.5 4.5 ± 0.3
1689 KAD-UNI-cb0f2bbc-12 molecule CC(C)(C)OC(=O)N1CC(=O)N2CCOCC2(C1)CNC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.2 ± 0.2 4.5 ± 0.1
1690 DAR-DIA-0d514e7d-18 molecule C[C@H]1COc2c(cc(cc2OC(F)(F)F)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.3 4.5 ± 0.2
1691 MAT-POS-24589f88-2 molecule CS(=O)(=O)N1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl −6.22 ± 0.07 4.53 ± 0.05
1692 MIC-UNK-8758c41d-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(c(c4)Cl)Cl −6.2 ± 0.2 4.5 ± 0.1
1693 ALP-POS-6747fa38-1 molecule CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 −6.22 ± 0.07 4.53 ± 0.05
1694 EDG-MED-90036822-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)/C=C/CN5CCC5C(=O)N −6.2 ± 0.4 4.5 ± 0.3
1695 MAR-UCB-6ab2ec87-7 molecule CC(=O)N1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.3 4.5 ± 0.3
1696 ALP-UNI-0676e700-29 molecule CS(=O)(=O)c1ccc(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.2 ± 0.3 4.5 ± 0.2
1697 JOH-UNI-6e27fddc-1 molecule Cc1cccc2c1c(cnc2)NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC −6.2 ± 0.3 4.5 ± 0.2
1698 LON-WEI-5e7d1b3e-58 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccc(cc4s3)OC −6.2 ± 0.3 4.5 ± 0.2
1699 MIC-UNK-cdc2493e-6 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4Cc5ccccc5C4 −6.2 ± 0.3 4.5 ± 0.2
1700 EDJ-MED-2f867453-2 molecule CC1(CNc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.2 4.5 ± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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