Compounds

Showing 1001 through 1100 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1001 MAT-POS-b5746674-109 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −7.3 ± 0.2 5.3 ± 0.2
1002 PET-UNK-55f647aa-1 molecule CN(C)c1ccc(nc1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4 −7.3 ± 0.4 5.3 ± 0.3
1003 VLA-UCB-34f3ed0c-15 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CCNCC6 −7.3 ± 0.3 5.3 ± 0.2
1004 MIC-UNK-ddc6ad53-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)OCCOC(F)(F)F −7.3 ± 0.2 5.3 ± 0.2
1005 BEN-DND-a02b439d-15 molecule CN1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl −7.3 ± 0.1 5.33 ± 0.08
1006 KAD-UNI-8a629cb0-26 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CCO6 −7.3 ± 0.3 5.3 ± 0.2
1007 ALF-EVA-07677224-1 molecule Cc1nc(ns1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −7.3 ± 0.2 5.3 ± 0.1
1008 EDG-MED-ba1ac7b9-30 molecule CN1CCC(CC1)N(CCO)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.3 ± 0.1 5.32 ± 0.07
1009 ALP-POS-e4f7337d-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NCC5CCC(O5)C(=O)N6CCCC6 −7.3 ± 0.2 5.3 ± 0.2
1010 RAL-THA-05e671eb-20 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4C#N)Cl −7.3 ± 0.3 5.3 ± 0.2
1011 PET-UNK-8922bd3c-1 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)Cl −7.30 ± 0.09 5.31 ± 0.07
1012 MAT-POS-61f37a1a-5 molecule Cn1cc(nn1)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.29 ± 0.06 5.31 ± 0.04
1013 MAT-POS-78e1d523-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl −7.3 ± 0.1 5.31 ± 0.09
1014 EDJ-MED-fcba3f31-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CO)F −7.3 ± 0.4 5.3 ± 0.3
1015 JOH-UNI-ea72002d-3 molecule c1ccc2c(c1)cncc2C(C(=O)C3CCOc4c3cc(cc4)Cl)N5C(=O)C=CC5=O −7.3 ± 0.4 5.3 ± 0.3
1016 MAK-UNK-c749d764-28 molecule c1ccc2c(c1)cncc2N(C=O)C(=O)CC3CCCC(C3O)C(F)F −7.3 ± 0.3 5.3 ± 0.2
1017 LAU-MED-88a3970a-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CCCCO)Cl −7.3 ± 0.2 5.3 ± 0.1
1018 MAR-UCB-f313ec4d-6 molecule c1ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4 −7.29 ± 0.10 5.31 ± 0.07
1019 EDG-MED-90036822-45 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5[nH]ccn5)(F)F −7.3 ± 0.3 5.3 ± 0.3
1020 DAR-DIA-0f7b7cd9-8 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 −7.29 ± 0.07 5.31 ± 0.05
1021 RAL-THA-1d44ff04-11 molecule CNS(=O)(=O)c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −7.3 ± 0.3 5.3 ± 0.2
1022 MIC-UNK-c66144cb-1 molecule c1ccc2c(c1)cncc2NC(=O)C(CCc3cccc(c3)F)c4cccc(c4)Cl −7.3 ± 0.3 5.3 ± 0.2
1023 DAR-DIA-0cde14eb-56 molecule CC(c1cccc(c1)C2(CC2)Cl)C(=O)Nc3cncc4c3cccc4 −7.28 ± 0.09 5.30 ± 0.07
1024 EDJ-MED-8c98ee63-2 molecule Cn1ccc(n1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.28 ± 0.06 5.30 ± 0.04
1025 MIC-UNK-644c43c7-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCNCC(F)(F)F −7.3 ± 0.3 5.3 ± 0.2
1026 ERI-UCB-b3e6b0c2-13 molecule CN1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)CN5CCNCC5 −7.3 ± 0.2 5.3 ± 0.2
1027 RAL-THA-1d44ff04-6 molecule COC(=O)NCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −7.3 ± 0.5 5.3 ± 0.4
1028 MAT-POS-b5746674-104 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC4(CC3)OCCO4 −7.3 ± 0.1 5.30 ± 0.08
1029 EDG-MED-ba1ac7b9-17 molecule Cn1ccnc1CN(C2CC2)C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.27 ± 0.08 5.29 ± 0.06
1030 VLA-UNK-5b0345c3-3 molecule c1ccc(cc1)COS(=O)(=O)N2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl −7.3 ± 0.4 5.3 ± 0.3
1031 DAR-DIA-0d514e7d-33 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4OC5C3C5)Cl −7.3 ± 0.2 5.3 ± 0.2
1032 MAK-UNK-8be7dca9-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(Oc4c3cc(cc4)Cl)C(=O)O −7.3 ± 0.2 5.3 ± 0.1
1033 DAR-DIA-0d514e7d-26 molecule C[C@@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 −7.3 ± 0.2 5.3 ± 0.2
1034 NAU-LAT-2fed8305-3 molecule c1ccc2c(c1)cncc2NC(=O)CN3CCC=C(C3)Cl −7.3 ± 0.4 5.3 ± 0.3
1035 PET-UNK-8c422e11-1 molecule CC(c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)(F)F −7.3 ± 0.4 5.3 ± 0.3
1036 MIC-UNK-6ab519a7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.3 ± 0.4 5.3 ± 0.3
1037 EDG-MED-90036822-55 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)N6CC(C6)N −7.3 ± 0.4 5.3 ± 0.3
1038 ALP-POS-9c80c481-1 molecule CNC(=O)COCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.26 ± 0.07 5.29 ± 0.05
1039 DAR-DIA-0587064e-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCCC(F)(F)F)Cl −7.25 ± 0.07 5.28 ± 0.05
1040 MAT-POS-5d65ec79-1 molecule CN(C)C(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.25 ± 0.10 5.28 ± 0.07
1041 MAT-POS-932d1078-4 molecule COC[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −7.25 ± 0.10 5.28 ± 0.07
1042 RAL-THA-2d450e86-7 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)F −7.25 ± 0.10 5.28 ± 0.07
1043 PET-UNK-83d689b6-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5nncs5 −7.25 ± 0.08 5.28 ± 0.06
1044 MAT-POS-1f3f1a6f-1 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)N −7.25 ± 0.10 5.28 ± 0.07
1045 MAK-UNK-c749d764-20 molecule CCCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −7.2 ± 0.1 5.28 ± 0.10
1046 LON-WEI-5e7d1b3e-28 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −7.2 ± 0.2 5.3 ± 0.2
1047 MAT-POS-24589f88-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5ccc(c(c5)F)S(=O)(=O)N −7.25 ± 0.09 5.28 ± 0.06
1048 VLA-UNK-56836b69-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(c(c4)Cl)Cl −7.2 ± 0.3 5.3 ± 0.2
1049 RAL-THA-e002e396-2 molecule CCS(=O)(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.1 5.3 ± 0.1
1050 BEN-DND-c852c98b-2 molecule c1cc2cncc(c2cc1OC(F)(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.2 ± 0.2 5.3 ± 0.2
1051 ALP-UNI-3496895b-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6C5CCCN6CCO −7.2 ± 0.2 5.3 ± 0.2
1052 RAL-THA-05e671eb-24 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cccc4C#N −7.2 ± 0.3 5.3 ± 0.2
1053 EDJ-MED-1981ceba-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CC(C5)C#N −7.2 ± 0.1 5.3 ± 0.1
1054 VLA-UCB-34f3ed0c-20 molecule c1ccc2c(c1)cncc2N(C(=O)c3c[nH]cn3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −7.2 ± 0.3 5.3 ± 0.2
1055 LAU-MED-88a3970a-16 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCS(=O)(=O)N)Cl −7.2 ± 0.3 5.3 ± 0.3
1056 RAL-THA-2d450e86-13 molecule Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 −7.23 ± 0.10 5.27 ± 0.07
1057 MAK-UNK-b7886382-1 molecule CC(CNCCCO)N(Cc1ccsc1)C(=O)Cc2cncc3c2cccc3 −7.2 ± 0.3 5.3 ± 0.2
1058 MAT-POS-24589f88-1 molecule COc1ccc2cncc(c2c1)NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC −7.23 ± 0.09 5.27 ± 0.07
1059 DAR-DIA-0f2f46c9-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)S(=O)(=O)N −7.2 ± 0.1 5.27 ± 0.09
1060 ALP-POS-3b848b35-4 molecule c1ccc2c(c1)cncc2NC(=O)C(CCC3CCCCC3)c4cccc(c4)Cl −7.2 ± 0.3 5.3 ± 0.2
1061 PET-UNK-83d689b6-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5cccnn5 −7.23 ± 0.07 5.27 ± 0.05
1062 EDJ-MED-009f762b-2 molecule Cc1nc(cs1)CN2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.2 ± 0.1 5.3 ± 0.1
1063 MAT-POS-24589f88-12 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5ccc(cc5)S(=O)(=O)N −7.22 ± 0.09 5.26 ± 0.07
1064 ALF-EVA-ced740bd-3 molecule c1cc2cncc(c2cc1F)NC(=O)C3COc4c3cc(cc4)F −7.2 ± 0.1 5.26 ± 0.10
1065 MIC-UNK-67d4a29a-3 molecule Cc1cccc2c1c(cnc2)N(C)C(=O)Cc3cccc(c3)Cl −7.2 ± 0.2 5.3 ± 0.1
1066 RAL-THA-2d450e86-25 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3F)Cl −7.2 ± 0.4 5.3 ± 0.3
1067 JOH-UNI-ea1df7a8-1 molecule c1ccc2c(c1)cncc2CC(=O)N3CCOc4c3cc(cc4)Cl −7.21 ± 0.10 5.25 ± 0.07
1068 DAR-DIA-ecdbc7dd-19 molecule CC(=O)N1CCN(CC1)CC2(CCNc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.2 ± 0.1 5.25 ± 0.08
1069 MAT-POS-fb82b63d-2 molecule CC1(c2cc(ccc2CCN1)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.2 5.2 ± 0.1
1070 EDG-MED-90036822-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CF)N −7.2 ± 0.3 5.2 ± 0.2
1071 PET-UNK-689df078-1 molecule c1ccc2c(c1)cncc2N3C(=O)CC[C@H](C3=O)c4cccc(c4)Cl −7.2 ± 0.2 5.2 ± 0.2
1072 MAT-POS-dd3ad2b5-1 molecule CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −7.2 ± 0.1 5.25 ± 0.09
1073 PET-UNK-1320d94d-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 −7.2 ± 0.2 5.2 ± 0.1
1074 MAT-POS-e6dd326d-5 molecule CN(C)S(=O)(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.20 ± 0.09 5.25 ± 0.07
1075 MAT-POS-281d2ee9-1 molecule CC(c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)C(=O)N −7.20 ± 0.07 5.24 ± 0.05
1076 MIC-UNK-b9827f26-1 molecule c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4ccc(c(c4)Cl)Cl −7.2 ± 0.2 5.2 ± 0.2
1077 DAR-DIA-0d514e7d-9 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5 −7.2 ± 0.2 5.2 ± 0.1
1078 DAR-DIA-0f2f46c9-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCN(c4c3cc(cc4)Cl)S(=O)(=O)N −7.2 ± 0.1 5.2 ± 0.1
1079 BEN-BAS-5c03e89e-1 molecule CC(C)(C1COc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl)O −7.2 ± 0.3 5.2 ± 0.2
1080 JOH-SUS-a69c159d-7 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.2 ± 0.4 5.2 ± 0.3
1081 PET-UNK-2c6614b6-6 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl −7.2 ± 0.2 5.2 ± 0.1
1082 KAD-UNI-cb0f2bbc-24 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5cn(nn5)CC6CCOC6 −7.2 ± 0.1 5.24 ± 0.09
1083 EDJ-MED-d203f206-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC6(C5)[C@@H](C[C@@H]6O)O −7.2 ± 0.3 5.2 ± 0.2
1084 DAR-DIA-6a508060-10 molecule CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.3 5.2 ± 0.2
1085 RAL-THA-1d44ff04-8 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]cnn4 −7.19 ± 0.10 5.23 ± 0.07
1086 LAU-MED-88a3970a-17 molecule CNC(=O)CCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.2 ± 0.6 5.2 ± 0.4
1087 EDJ-MED-6d9ff7d0-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NCc5ccn[nH]5 −7.2 ± 0.1 5.23 ± 0.09
1088 KAD-UNI-cb0f2bbc-7 molecule CC1(CCS(=O)(=O)C1)n2cc(cn2)CNC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.18 ± 0.09 5.23 ± 0.07
1089 PET-UNK-acd70dee-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5ncco5 −7.2 ± 0.2 5.2 ± 0.1
1090 VLA-UNK-c65c1026-2 molecule c1ccc2c(c1)cncc2N3C(=O)CCC4(C3=O)COc5c4cc(cc5)Cl −7.2 ± 0.2 5.2 ± 0.1
1091 EDJ-MED-4f704dc9-2 molecule COCC1(CC(=O)Nc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.1 5.23 ± 0.08
1092 VLA-UNK-f702bf1c-7 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 −7.2 ± 0.3 5.2 ± 0.2
1093 ALP-POS-fe871b40-3 molecule COC1(CCOc2c1cc(cc2C#N)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.2 5.2 ± 0.1
1094 JAG-UCB-f37eaa14-5 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(c5c4cc(cc5)Cl)CCN6CCNC6=O −7.2 ± 0.2 5.2 ± 0.1
1095 MIC-UNK-ea4eb352-6 molecule COC1(CN(Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.3 5.2 ± 0.2
1096 EDJ-MED-ee07cf00-18 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)CN4CCN(C4=O)C5CC5 −7.17 ± 0.09 5.22 ± 0.06
1097 JOH-UNI-a38a7bdd-6 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)C4CC4C(F)(F)F −7.2 ± 0.2 5.2 ± 0.1
1098 JOH-SUS-a69c159d-5 molecule c1cc2c(cc1F)c(cnc2F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.2 ± 0.2 5.2 ± 0.1
1099 JAG-UCB-706446eb-4 molecule CCOC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.2 ± 0.3 5.2 ± 0.2
1100 EDG-MED-90036822-52 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CNCCCO)(F)F −7.2 ± 0.4 5.2 ± 0.3
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by fah-xchem version 0.1.0+79.gd44a60c.dirty