Compounds

Showing 1701 through 1800 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1701 PET-UNK-1b92fa34-2 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CS(=O)(=O)Cc4c3cc(cc4)Cl −6.2 ± 0.2 4.5 ± 0.2
1702 EDJ-MED-827e7cb4-2 molecule CNS(=O)(=O)N1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −6.2 ± 0.2 4.5 ± 0.1
1703 PET-UNK-1e7f2e90-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCC#N −6.2 ± 0.3 4.5 ± 0.2
1704 EDG-MED-971238d3-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)O −6.2 ± 0.4 4.5 ± 0.3
1705 ED_-GRI-5b13fbe2-32 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)C6CNC6 −6.2 ± 0.4 4.5 ± 0.3
1706 BEN-DND-a02b439d-12 molecule CN1Cc2cc(c(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl)Cl −6.2 ± 0.1 4.5 ± 0.1
1707 EDJ-MED-ba7e64f2-3 molecule c1ccc2c(c1)c[nH]c(=O)c2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.2 ± 0.2 4.5 ± 0.1
1708 MAT-POS-3ccb8ef6-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CNCc4c3cc(cc4)Cl −6.19 ± 0.09 4.51 ± 0.07
1709 DAR-DIA-23e5a6a0-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)CC6)Cl −6.2 ± 0.3 4.5 ± 0.2
1710 EDJ-MED-611d11e7-8 molecule COc1ccc2cncc(c2c1)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl −6.19 ± 0.09 4.51 ± 0.06
1711 EDJ-MED-ee07cf00-17 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4c(=O)c5ccnn5cn4 −6.19 ± 0.09 4.51 ± 0.07
1712 RAL-THA-2d450e86-38 molecule Cc1ccccc1CC(=O)Nc2cncc3c2cccc3 −6.19 ± 0.10 4.51 ± 0.07
1713 RAL-THA-8416115c-3 molecule CCN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.2 4.5 ± 0.1
1714 ALP-POS-5bb456a5-3 molecule Cn1c(nnn1)C2=CCN(CC2)C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.18 ± 0.09 4.51 ± 0.07
1715 EDG-MED-90036822-100 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCF −6.2 ± 0.5 4.5 ± 0.3
1716 EDJ-MED-4c7486ba-4 molecule CN(C)CC(=O)NC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.5 4.5 ± 0.4
1717 RAL-THA-05e671eb-30 molecule COc1c(ccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4)Cl −6.2 ± 0.3 4.5 ± 0.2
1718 ED_-GRI-5b13fbe2-67 molecule CN1CCc2c(cc(nn2)NCCO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C1 −6.2 ± 0.3 4.5 ± 0.3
1719 MAT-POS-4223bc15-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CCO −6.2 ± 0.1 4.5 ± 0.1
1720 RAL-THA-2d450e86-20 molecule Cc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 −6.2 ± 0.5 4.5 ± 0.4
1721 ALP-UNI-dbbfd3db-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5ccc(cc5)C(=O)N −6.2 ± 0.3 4.5 ± 0.2
1722 KAD-UNI-877d7bed-1 molecule c1ccc(cc1)C(COc2cc(cc3c2OCCC3C(=O)Nc4cncc5c4cccc5)Cl)(C(=O)N)O −6.2 ± 0.1 4.50 ± 0.10
1723 KAD-UNI-877d7bed-4 molecule Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCOc3cc(cc4c3OCCC4C(=O)Nc5cncc6c5cccc6)Cl −6.2 ± 0.2 4.5 ± 0.2
1724 CHO-MSK-5891c1ff-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −6.2 ± 0.4 4.5 ± 0.3
1725 MAT-POS-dc2604c4-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CCC#N −6.2 ± 0.2 4.5 ± 0.1
1726 BEN-DND-d1eb1f41-10 molecule CC(C)(c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl)O −6.2 ± 0.2 4.5 ± 0.2
1727 EDJ-MED-12c115cc-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cc(cc4)Cl −6.17 ± 0.10 4.49 ± 0.07
1728 MAT-POS-b5746674-110 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)Cc4ccccc4 −6.2 ± 0.2 4.5 ± 0.1
1729 VLA-UCB-50c39ae8-1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.2 ± 0.3 4.5 ± 0.2
1730 MAT-POS-5369c344-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCC5CC5)Cl −6.2 ± 0.2 4.5 ± 0.1
1731 EDJ-MED-923a35c2-1 molecule COC1(CN(Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −6.2 ± 0.2 4.5 ± 0.1
1732 MAT-POS-f9802937-2 molecule CN1c2ccc(cc2C(CC1=O)(C(=O)Nc3cncc4c3cccc4)O)Cl −6.17 ± 0.09 4.49 ± 0.07
1733 EDG-MED-90036822-110 molecule CCN(C)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F −6.2 ± 0.4 4.5 ± 0.3
1734 ALF-EVA-0b412456-3 molecule Cc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 −6.16 ± 0.08 4.49 ± 0.06
1735 RAL-THA-2d450e86-11 molecule COc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 −6.16 ± 0.10 4.49 ± 0.07
1736 ALP-UNI-8e43a71e-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6C5CCCN6CCO −6.16 ± 0.06 4.49 ± 0.04
1737 PET-UNK-b87f07d0-1 molecule CC(=O)NCCCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −6.2 ± 0.5 4.5 ± 0.4
1738 PET-UNK-03fd2068-10 molecule CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F −6.2 ± 0.3 4.5 ± 0.2
1739 ALP-POS-93b3621f-3 molecule COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)C(F)(F)F −6.2 ± 0.2 4.5 ± 0.1
1740 ALF-EVA-650655fc-8 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC3CC(C3)C(F)F)c4cc(cc(c4)Cl)OC5CC(=O)N5 −6.15 ± 0.07 4.48 ± 0.05
1741 DAR-DIA-0d514e7d-20 molecule C[C@H]1COc2c(cc(cc2N3CCOCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −6.1 ± 0.3 4.5 ± 0.2
1742 EDJ-MED-d1555997-1 molecule CS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3c(ccc4)F)Cl −6.1 ± 0.2 4.5 ± 0.1
1743 VLA-UCB-05e51b3f-17 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.1 ± 0.7 4.5 ± 0.5
1744 PET-UNK-b566c0b0-7 molecule CN(C)S(=O)(=O)N1Cc2ccccc2[C@@](C1)(C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C)OC −6.1 ± 0.2 4.5 ± 0.2
1745 LON-WEI-5e7d1b3e-16 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −6.1 ± 0.3 4.5 ± 0.2
1746 EDJ-MED-ee07cf00-8 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)C#N −6.13 ± 0.08 4.47 ± 0.06
1747 PET-UNK-03fd2068-9 molecule CO[C@]1(CN(Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)F −6.1 ± 0.3 4.5 ± 0.2
1748 EDG-MED-ba1ac7b9-28 molecule CN(CCO)C1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.13 ± 0.08 4.46 ± 0.06
1749 MAT-POS-61f37a1a-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCCN5C(=O)c6ccccc6C5=O −6.13 ± 0.09 4.46 ± 0.07
1750 DAR-DIA-f6ee7aeb-6 molecule c1ccc2c(c1)cncc2N3CC(C(CC3=O)c4cccc(c4)Cl)c5c[nH]c(=O)[nH]c5=O −6.1 ± 0.1 4.46 ± 0.10
1751 JOH-UNI-50ce7ec3-3 molecule C=CS(=O)(=O)N(c1cnc(c2c1cccc2)C(F)F)C(=O)Cc3cccc(c3)Cl −6.1 ± 0.4 4.5 ± 0.3
1752 MAT-POS-5f1400cf-1 molecule Cn1cc(cn1)N2CCC(C2)CNCC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.12 ± 0.07 4.46 ± 0.05
1753 MIC-UNK-cdc2493e-18 molecule CC(=O)N1CCC(C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.1 ± 0.2 4.5 ± 0.2
1754 LON-WEI-5e7d1b3e-13 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC3CCCO3 −6.1 ± 0.4 4.5 ± 0.3
1755 ALP-POS-5bb456a5-1 molecule CC1CN(CCC1NC(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −6.12 ± 0.04 4.46 ± 0.03
1756 BEN-DND-d1eb1f41-4 molecule CNCc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl −6.1 ± 0.2 4.5 ± 0.2
1757 VLA-UNK-56836b69-3 molecule CN1C(=O)N(C(=O)[C@@]12CCOc3c2cc(c(c3)Cl)Cl)c4cncc5c4cccc5 −6.1 ± 0.3 4.5 ± 0.2
1758 NIR-WEI-75ed5c39-1 molecule CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)C(=C)c3cncc4c3cccc4 −6.1 ± 0.4 4.5 ± 0.3
1759 JOH-UNI-ee5ed7c8-6 molecule c1ccc2c(c1)cncc2NC(=O)C(CC#N)c3cccc(c3)Cl −6.1 ± 0.3 4.5 ± 0.2
1760 BEN-DND-a02b439d-2 molecule CC(C)(CN1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl)O −6.1 ± 0.2 4.5 ± 0.1
1761 EDJ-MED-ee07cf00-10 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cnc(n4)C(F)(F)F −6.11 ± 0.09 4.45 ± 0.07
1762 KAD-UNI-877d7bed-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCC(=O)Nc5cnccn5)Cl −6.1 ± 0.1 4.45 ± 0.08
1763 RAL-THA-2d450e86-39 molecule COc1ccccc1CC(=O)Nc2cncc3c2cccc3 −6.11 ± 0.10 4.45 ± 0.07
1764 EDG-MED-90036822-88 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(CCF)CN −6.1 ± 0.4 4.4 ± 0.3
1765 RAL-THA-05e671eb-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4)C#N −6.1 ± 0.4 4.4 ± 0.3
1766 ED_-GRI-5b13fbe2-39 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CNC(=O)N5 −6.1 ± 0.5 4.4 ± 0.4
1767 KAD-UNI-877d7bed-20 molecule CC1(CC(=NO1)C(=O)OC)COc2cc(cc3c2OCCC3C(=O)Nc4cncc5c4cccc5)Cl −6.1 ± 0.1 4.44 ± 0.08
1768 EDJ-MED-15e90dfc-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNc5ccn[nH]5 −6.1 ± 0.1 4.4 ± 0.1
1769 BEN-DND-f2e727cd-3 molecule CN1CCN(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.1 ± 0.5 4.4 ± 0.3
1770 DAR-DIA-6be260fc-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl −6.1 ± 0.3 4.4 ± 0.2
1771 EDJ-MED-139368ae-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cccc4)S(=O)(=O)N5CCC5 −6.1 ± 0.3 4.4 ± 0.2
1772 EDJ-MED-d203f206-38 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO −6.1 ± 0.3 4.4 ± 0.2
1773 ALP-UNI-3496895b-13 molecule Cn1c(=O)cc2c(n1)CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.1 ± 0.3 4.4 ± 0.2
1774 LON-WEI-4d77710c-9 molecule Cc1cc(no1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −6.1 ± 0.1 4.43 ± 0.09
1775 PET-UNK-03fd2068-5 molecule CS(=O)(=O)N1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F −6.1 ± 0.3 4.4 ± 0.2
1776 PET-UNK-88d26eaf-1 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl −6.1 ± 0.2 4.4 ± 0.2
1777 EDJ-MED-923a35c2-3 molecule CC1(CN(Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −6.08 ± 0.08 4.43 ± 0.06
1778 EDJ-MED-d203f206-31 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)C5CCOCC5 −6.1 ± 0.3 4.4 ± 0.2
1779 LON-WEI-5e7d1b3e-38 molecule CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 −6.1 ± 0.5 4.4 ± 0.3
1780 MAT-POS-932d1078-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC(=O)C5COCCN5CC(F)(F)F −6.07 ± 0.07 4.42 ± 0.05
1781 LON-WEI-4d77710c-39 molecule CC(CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −6.06 ± 0.06 4.42 ± 0.04
1782 LON-WEI-5e7d1b3e-22 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccnc3 −6.1 ± 0.5 4.4 ± 0.3
1783 EDJ-MED-ee07cf00-16 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4cc(c(=O)[nH]c4=O)Cl −6.06 ± 0.08 4.41 ± 0.05
1784 ALP-UNI-0676e700-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)c5cccc(c5)O −6.1 ± 0.3 4.4 ± 0.2
1785 EDG-MED-4c68219f-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5ccnn5C6CNC6 −6.1 ± 0.4 4.4 ± 0.3
1786 MIC-UNK-ea4eb352-1 molecule COC1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.1 ± 0.2 4.4 ± 0.2
1787 EDG-MED-90036822-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CNCC(=O)N)(F)F −6.1 ± 0.5 4.4 ± 0.3
1788 MIC-UNK-a28eba03-3 molecule CC1(CCCN(C1)C(=O)Cc2cncc3c2cccc3)C −6.1 ± 0.6 4.4 ± 0.5
1789 EDG-MED-90036822-74 molecule CN1CC(CC1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −6.1 ± 0.3 4.4 ± 0.2
1790 MIC-UNK-5d22d78d-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CCCC5 −6.0 ± 0.1 4.41 ± 0.08
1791 CHO-MSK-5891c1ff-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[C@H]5COCCO5 −6.0 ± 0.7 4.4 ± 0.5
1792 MAT-POS-bb423b95-7 molecule CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.04 ± 0.09 4.40 ± 0.07
1793 EDJ-MED-841e0cf0-3 molecule CO[C@@]1(CN(Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F −6.0 ± 0.2 4.4 ± 0.1
1794 EDJ-MED-4c7486ba-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cnc[nH]5 −6.0 ± 0.6 4.4 ± 0.5
1795 EDG-MED-971238d3-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)N −6.04 ± 0.10 4.40 ± 0.07
1796 ALP-POS-67d5babe-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCN5CCC6CS(=O)(=O)CC6C5 −6.0 ± 0.1 4.40 ± 0.09
1797 DAR-DIA-076fb6ea-11 molecule CN(C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.0 ± 0.5 4.4 ± 0.3
1798 MAT-POS-f9802937-6 molecule CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.03 ± 0.09 4.39 ± 0.07
1799 KAD-UNI-8a629cb0-5 molecule Cn1c(nnn1)C2CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.0 ± 0.4 4.4 ± 0.3
1800 EDG-MED-ba1ac7b9-27 molecule CC1CN(CCN1C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CCO −6.03 ± 0.05 4.39 ± 0.03
Last updated 2021-06-04T18:13:56.580002+00:00
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