Compounds

Showing 5801 through 5900 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
5801 MAT-POS-f9802937-5 molecule CNC(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.3 4.7 ± 0.2
5802 LON-WEI-5e7d1b3e-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −6.4 ± 0.6 4.7 ± 0.5
5803 EN300-7459540_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5[C@H](CO)O −6.4 ± 0.4 4.7 ± 0.3
5804 ALP-POS-f13221e1-1 molecule Cn1ccc2c1cc(cc2)CC(=O)Nc3cncc4c3cccc4 −6.4 ± 0.3 4.7 ± 0.2
5805 MAT-POS-b5746674-34 molecule CCCCN(CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3 −6.4 ± 0.7 4.7 ± 0.5
5806 EN300-68882_2_1 molecule CC1(C(=O)NCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −6.4 ± 0.3 4.7 ± 0.2
5807 EN300-6759972_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](CC5)NC(=O)N −6.4 ± 0.3 4.7 ± 0.2
5808 NAU-LAT-b7d8c353-8 molecule c1cc(c2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl)CN −6.4 ± 0.1 4.68 ± 0.08
5809 LON-WEI-5e7d1b3e-57 molecule CC(C)OCCCN(Cc1ccco1)C(=O)Nc2cn(c(=O)c3c2cccc3)C −6.4 ± 0.5 4.7 ± 0.4
5810 ALP-POS-5bb456a5-9 molecule CCNC(=O)CN1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.3 4.7 ± 0.2
5811 EDJ-MED-2f867453-1 molecule CC1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.4 ± 0.3 4.7 ± 0.2
5812 DAR-DIA-5ff57136-1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −6.4 ± 0.7 4.7 ± 0.5
5813 ALP-UNI-0676e700-26 molecule Cn1cc(c(=O)[nH]c1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.3 4.7 ± 0.2
5814 EN300-160277_2_1 molecule COCCn1ccc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.2 4.7 ± 0.2
5815 EN300-126705_1_1 molecule C[C@H]1CN(CC[N@@]1S(=O)(=O)C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.4 ± 0.4 4.6 ± 0.3
5816 EN300-51801_3_1 molecule CCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −6.4 ± 0.3 4.6 ± 0.2
5817 ADA-UCB-dc2b944c-14 molecule C[C@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −6.4 ± 0.3 4.6 ± 0.2
5818 ALP-POS-f13221e1-3 molecule c1ccc2c(c1)cncc2NC(=O)CCc3cccc(c3)Cl −6.37 ± 0.10 4.64 ± 0.07
5819 EN300-746311_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH]c6c5c(=O)[nH]cn6 −6.4 ± 0.3 4.6 ± 0.2
5820 EN300-19242_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO −6.4 ± 0.1 4.6 ± 0.1
5821 EN300-201346_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)N5 −6.4 ± 0.2 4.6 ± 0.1
5822 MIC-UNK-cdc2493e-20 molecule CC(=O)N(C)C1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.5 4.6 ± 0.3
5823 EDG-MED-90036822-102 molecule CCN(CC)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F −6.3 ± 0.7 4.6 ± 0.5
5824 DAR-DIA-0d514e7d-34 molecule C[C@@H]1[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.3 4.6 ± 0.2
5825 EN300-39305_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[NH+]5CCS(=O)(=O)CC5 −6.3 ± 0.4 4.6 ± 0.3
5826 JOH-UNI-6fede743-3 molecule c1ccc2c(c1)c(c[nH]c2=O)NC(=O)Cc3cccc(c3)Cl −6.3 ± 0.3 4.6 ± 0.2
5827 KAD-UNI-8a629cb0-45 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O −6.3 ± 0.2 4.6 ± 0.2
5828 EN300-6737762_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCCNC5=O −6.3 ± 0.2 4.6 ± 0.1
5829 LON-WEI-4d77710c-58 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccc(cc4s3)OC −6.3 ± 0.7 4.6 ± 0.5
5830 EN300-74856_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCCS(=O)(=O)C5 −6.3 ± 0.3 4.6 ± 0.2
5831 MAT-POS-8a69d52e-5 molecule C[C@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −6.3 ± 0.3 4.6 ± 0.2
5832 EN300-30687_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc(c5)OCC(=O)N −6.3 ± 0.2 4.6 ± 0.2
5833 ALP-POS-477dc5b7-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCC5CC5 −6.29 ± 0.08 4.58 ± 0.06
5834 JOH-UNI-3fc3434e-10 molecule CN(c1c2ccccc2cnc1CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −6.3 ± 0.4 4.6 ± 0.3
5835 EDG-MED-971238d3-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)N −6.3 ± 0.2 4.6 ± 0.1
5836 RAL-THA-2d450e86-39 molecule COc1ccccc1CC(=O)Nc2cncc3c2cccc3 −6.3 ± 0.2 4.6 ± 0.2
5837 EN300-181938_2_2 molecule C[C@](CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −6.3 ± 0.2 4.6 ± 0.2
5838 FRA-DIA-0fa076fe-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cccc4Cl −6.3 ± 0.2 4.6 ± 0.2
5839 EN300-182725_4_3 molecule C[C@@H]([C@H](C)S(=O)(=O)C)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.3 ± 0.4 4.6 ± 0.3
5840 EDJ-MED-12c115cc-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cc(cc4)Cl −6.3 ± 0.3 4.6 ± 0.2
5841 ALP-UNI-0676e700-1 molecule Cc1[nH]n2c(=O)c(cnc2n1)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.3 ± 0.3 4.6 ± 0.2
5842 EN300-248883_2_2 molecule COC[C@]1(CCOC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.3 ± 0.2 4.6 ± 0.1
5843 JOH-UNI-50ce7ec3-1 molecule C=CS(=O)(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.3 ± 0.4 4.6 ± 0.3
5844 EN300-100180_2_2 molecule CC(=O)N1CC[C@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.2 ± 0.4 4.6 ± 0.3
5845 LON-WEI-5e7d1b3e-59 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)CC4CCCO4 −6.2 ± 0.4 4.5 ± 0.3
5846 EN300-05798_2_1 molecule Cn1c(=O)ccc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.2 ± 0.2 4.5 ± 0.1
5847 RAL-THA-1d44ff04-10 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)S(=O)(=O)N −6.2 ± 0.4 4.5 ± 0.3
5848 DAR-DIA-6a508060-13 molecule CS(=O)(=O)NCCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.2 4.5 ± 0.2
5849 EN300-224665_2_2 molecule C[C@]1(CN(CCOC1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −6.2 ± 0.4 4.5 ± 0.3
5850 EN300-383824_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c([nH]c5=O)CCOC6 −6.2 ± 0.4 4.5 ± 0.3
5851 EN300-7438451_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCn6c(nnn6)C5 −6.2 ± 0.3 4.5 ± 0.2
5852 LON-WEI-4d77710c-31 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3 −6.2 ± 0.4 4.5 ± 0.3
5853 LON-WEI-4d77710c-51 molecule Cc1c(c(on1)C)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −6.17 ± 0.10 4.49 ± 0.07
5854 LON-WEI-5e7d1b3e-27 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCCCC3 −6.2 ± 0.4 4.5 ± 0.3
5855 MAT-POS-f9802937-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(c(c4)Cl)Cl −6.2 ± 0.3 4.5 ± 0.3
5856 EDJ-MED-8c98ee63-1 molecule COCCCNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.2 ± 0.3 4.5 ± 0.2
5857 LON-WEI-af038623-3 molecule C=CC(=O)Nc1cncc2c1cccc2 −6.1 ± 0.3 4.5 ± 0.2
5858 ALP-POS-ce760d3f-8 molecule c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(cc4)Cl −6.14 ± 0.09 4.47 ± 0.06
5859 EN300-158067_1_1 molecule Cc1c(c(n(n1)C)n2cncn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.1 ± 0.3 4.5 ± 0.2
5860 EN300-102853_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc6nn[nH][n+]6c5 −6.1 ± 0.2 4.5 ± 0.1
5861 EN300-7351945_2_2 molecule CC1(C[C@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −6.1 ± 0.4 4.5 ± 0.3
5862 EN300-1703825_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6[C@H]5CS(=O)(=O)C6 −6.1 ± 0.4 4.5 ± 0.3
5863 EN300-259187_3_1 molecule CCN1C[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.1 ± 0.2 4.5 ± 0.1
5864 MAK-UNK-83e0a0b4-1_1 molecule CCCCc1ccc2c(c1)[C@@H](CCO2)C(=O)N(CCNC3C[NH2+]C3)c4cncc5c4ccc(c5)C[NH+]6CC[NH2+]CC6 −6.1 ± 0.6 4.5 ± 0.4
5865 ALF-EVA-ced740bd-4 molecule c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)F −6.1 ± 0.2 4.5 ± 0.1
5866 LON-WEI-4d77710c-44 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccco3 −6.11 ± 0.10 4.45 ± 0.07
5867 EN300-72730_2_2 molecule C[C@H](C#N)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.1 ± 0.1 4.4 ± 0.1
5868 RAL-THA-05e671eb-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cccc4 −6.10 ± 0.08 4.44 ± 0.06
5869 RAL-THA-2d450e86-1 molecule c1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 −6.1 ± 0.2 4.4 ± 0.2
5870 MAT-POS-afd4d4fd-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl −6.09 ± 0.10 4.44 ± 0.07
5871 LON-WEI-5e7d1b3e-4 molecule Cc1ccc(c(c1)Br)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −6.1 ± 0.5 4.4 ± 0.4
5872 MAT-POS-b5746674-104 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC4(CC3)OCCO4 −6.1 ± 0.5 4.4 ± 0.3
5873 MAK-UNK-c749d764-10 molecule CSN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −6.1 ± 0.2 4.4 ± 0.2
5874 EN300-71022_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC[NH+](CC5)CCO −6.1 ± 0.6 4.4 ± 0.4
5875 MAT-POS-8a69d52e-3 molecule C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −6.08 ± 0.09 4.43 ± 0.07
5876 EN300-217107_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CC[C@@H]5C(=O)N −6.1 ± 0.2 4.4 ± 0.2
5877 LON-WEI-4d77710c-30 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccccc4s3 −6.1 ± 0.7 4.4 ± 0.5
5878 EN300-6497863_2_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCC[NH+](C)C −6.0 ± 0.2 4.4 ± 0.2
5879 EN300-02623_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5nc([nH]n5)CCCO −6.0 ± 0.3 4.4 ± 0.2
5880 EN300-145616_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5cnc[nH]5 −6.0 ± 0.4 4.4 ± 0.3
5881 MAK-UNK-919546f0-5 molecule CN(CC(=O)Nc1cncc2c1cccc2)C=O −6.0 ± 0.3 4.4 ± 0.2
5882 EN300-6489289_2_1 molecule Cc1nnc2n1[C@@H](CC2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.0 ± 0.3 4.4 ± 0.2
5883 EDJ-MED-4c7486ba-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −6.0 ± 0.2 4.4 ± 0.1
5884 EN300-92406_2_1 molecule Cc1c([nH]c(=O)[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.0 ± 0.2 4.4 ± 0.1
5885 EN300-00271_2_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −6.0 ± 0.2 4.4 ± 0.1
5886 MAT-POS-4211dce8-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.3 4.4 ± 0.2
5887 RAL-THA-05e671eb-34 molecule Cc1cccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4 −6.0 ± 0.1 4.36 ± 0.08
5888 RAL-THA-05e671eb-35 molecule COc1cccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4 −6.0 ± 0.2 4.4 ± 0.1
5889 EN300-52983_3_1 molecule CN1C[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.0 ± 0.2 4.4 ± 0.2
5890 RAL-THA-2d450e86-37 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3F −6.0 ± 0.2 4.3 ± 0.2
5891 VLA-UCB-05e51b3f-4 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −5.9 ± 0.4 4.3 ± 0.3
5892 MAK-UNK-8be7dca9-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(Oc4c3cc(cc4)Cl)C(=O)O −5.92 ± 0.09 4.31 ± 0.07
5893 EN300-36938_2_1 molecule Cc1cc(no1)NC(=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.9 ± 0.3 4.3 ± 0.2
5894 MIC-UNK-67d4a29a-3 molecule Cc1cccc2c1c(cnc2)N(C)C(=O)Cc3cccc(c3)Cl −5.9 ± 0.3 4.3 ± 0.2
5895 MAT-POS-2905de8c-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)N −5.9 ± 0.2 4.3 ± 0.1
5896 ALP-POS-2da19ca7-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)c6n[nH]nn6 −5.9 ± 0.3 4.3 ± 0.3
5897 EDG-MED-5d232de5-2 molecule c1cc2cncc(c2cc1F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −5.9 ± 0.2 4.3 ± 0.2
5898 EN300-6733459_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCC[N@]5S(=O)(=O)CC6 −5.9 ± 0.5 4.3 ± 0.4
5899 LON-WEI-4d77710c-28 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −5.8 ± 0.6 4.3 ± 0.4
5900 MAT-POS-c74bc7b3-2 molecule C[C@@]1(CCNc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −5.8 ± 0.3 4.2 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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