Compounds

Showing 1101 through 1200 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1101 MAT-POS-3b97339c-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N −7.2 ± 0.1 5.22 ± 0.09
1102 PET-UNK-7be94445-1 molecule c1ccc2c(c1)cncc2N3CCCN(C3=O)c4cccc(c4)Cl −7.2 ± 0.1 5.21 ± 0.08
1103 KAD-UNI-877d7bed-14 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCC(=O)CCNC(=O)C(F)(F)F)Cl −7.2 ± 0.2 5.2 ± 0.1
1104 EDG-MED-971238d3-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCN −7.2 ± 0.3 5.2 ± 0.2
1105 MAT-POS-24589f88-16 molecule Cn1ccc(n1)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.15 ± 0.09 5.21 ± 0.06
1106 RAL-THA-8416115c-13 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ncn5 −7.15 ± 0.07 5.21 ± 0.05
1107 EDG-MED-ba1ac7b9-4 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N6CCC(C6)O −7.1 ± 0.1 5.2 ± 0.1
1108 MAT-POS-e9e99895-1 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)N −7.1 ± 0.4 5.2 ± 0.3
1109 ROB-UNI-611831f5-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cn4)Cl −7.1 ± 0.2 5.2 ± 0.1
1110 VLA-UCB-34f3ed0c-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)NCc5cc[nH]n5 −7.1 ± 0.3 5.2 ± 0.2
1111 EDJ-MED-cf877e1d-2 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl −7.1 ± 0.2 5.2 ± 0.1
1112 ALF-EVA-a24cc7ce-2 molecule CN(c1cncc2c1cccc2)C(=O)C3COc4c3cc(cc4)Cl −7.1 ± 0.1 5.21 ± 0.09
1113 MAK-UNK-3875bbc8-3 molecule CN(c1cncc2c1cccc2)C(=O)C3CCOc4c3cccc4 −7.1 ± 0.2 5.2 ± 0.2
1114 PET-UNK-5d7c542f-1 molecule CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)F −7.1 ± 0.1 5.2 ± 0.1
1115 DAR-DIA-076fb6ea-8 molecule C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −7.1 ± 0.2 5.2 ± 0.2
1116 BEN-DND-34fc7f90-8 molecule CN1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)Cl −7.1 ± 0.1 5.20 ± 0.08
1117 KAD-UNI-80f122c8-2 molecule CC(=O)N1CC2CC1CN2C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.14 ± 0.09 5.20 ± 0.07
1118 BEN-BAS-c2bc0d80-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CC=Nc4c3[nH]c(cc4=O)Cl −7.1 ± 0.2 5.2 ± 0.1
1119 MAT-POS-24589f88-5 molecule Cc1nc(cs1)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.14 ± 0.07 5.20 ± 0.05
1120 PET-UNK-372a2f82-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Cc4ccn[nH]4 −7.14 ± 0.09 5.20 ± 0.07
1121 DAR-DIA-23e5a6a0-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CCC6(N5)CCC6)Cl −7.1 ± 0.2 5.2 ± 0.1
1122 ED_-GRI-5b13fbe2-15 molecule CN(CCN)CCOCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.2 5.2 ± 0.1
1123 VLA-UNK-83c3754c-2 molecule CN1C(=O)N(C(=O)[C@@]12COc3c2cc(cc3)Cl)c4cncc5c4cccc5 −7.1 ± 0.2 5.2 ± 0.2
1124 MIC-UNK-bcd487e9-1 molecule c1ccc(cc1)CN(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.3 5.2 ± 0.2
1125 WIL-UCB-7ba4ac3a-3 molecule c1ccc2c(c1)cncc2NS(=O)(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.1 ± 0.3 5.2 ± 0.2
1126 MIC-UNK-644c43c7-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCNC(C(F)(F)F)C(F)(F)F −7.1 ± 0.4 5.2 ± 0.3
1127 EDJ-MED-50011917-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CC4CC(=O)N4 −7.13 ± 0.08 5.19 ± 0.06
1128 EDJ-MED-b7309adf-2 molecule c1cc2c(cc1Cl)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl −7.1 ± 0.4 5.2 ± 0.3
1129 LON-WEI-5e7d1b3e-15 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O −7.1 ± 0.3 5.2 ± 0.2
1130 ALP-UNI-ba800595-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4Cl)Cl −7.1 ± 0.1 5.19 ± 0.08
1131 ALP-POS-f13221e1-3 molecule c1ccc2c(c1)cncc2NC(=O)CCc3cccc(c3)Cl −7.12 ± 0.09 5.19 ± 0.06
1132 ALP-POS-fe871b40-12 molecule COC1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.2 5.2 ± 0.1
1133 ALP-POS-5bb456a5-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)c6n[nH]nn6 −7.1 ± 0.5 5.2 ± 0.3
1134 LON-WEI-5e7d1b3e-23 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccc(c3)C(F)(F)F −7.1 ± 0.3 5.2 ± 0.2
1135 ALP-POS-869ac754-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4Cl)Cl −7.12 ± 0.10 5.18 ± 0.07
1136 EDG-MED-90036822-39 molecule CC(CO)NCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F −7.1 ± 0.3 5.2 ± 0.2
1137 MIC-UNK-5a93dd5f-11 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)N4CCC(CC4)N5CCCCC5 −7.1 ± 0.3 5.2 ± 0.2
1138 JOH-UNI-3fc3434e-10 molecule CN(c1c2ccccc2cnc1CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −7.1 ± 0.5 5.2 ± 0.3
1139 BEN-DND-c852c98b-1 molecule c1cc2cncc(c2cc1C#N)NC(=O)C3CCOc4c3cc(cc4)Cl −7.11 ± 0.07 5.18 ± 0.05
1140 EDJ-MED-f893e2a1-4 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC[C@]5(CCSC5)O −7.1 ± 0.1 5.18 ± 0.09
1141 ALF-EVA-b701bd13-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCCNc4c3cc(c(c4)Cl)Cl −7.1 ± 0.4 5.2 ± 0.3
1142 KAD-UNI-8a629cb0-38 molecule CN1[C@@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.1 ± 0.4 5.2 ± 0.3
1143 EDJ-MED-cf4b0d25-3 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)[C@@H]4CCCO4 −7.11 ± 0.06 5.18 ± 0.05
1144 MAT-POS-1f3f1a6f-3 molecule CC(=O)NC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −7.11 ± 0.10 5.18 ± 0.07
1145 ERI-UCB-b3e6b0c2-12 molecule CN1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)CN −7.1 ± 0.2 5.2 ± 0.1
1146 MAT-POS-61f37a1a-4 molecule CC(C)(C)OC(=O)NCc1c(n(nn1)C)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.11 ± 0.08 5.18 ± 0.05
1147 EDJ-MED-611d11e7-6 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −7.11 ± 0.10 5.18 ± 0.07
1148 EDJ-MED-15e90dfc-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5ccn[nH]5 −7.1 ± 0.2 5.2 ± 0.1
1149 ALP-UNI-dbbfd3db-13 molecule Cn1cc(cn1)C2=NOC(C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.10 ± 0.05 5.17 ± 0.04
1150 ED_-GRI-5b13fbe2-17 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](c5cn(nn5)CC6CC6)N −7.1 ± 0.3 5.2 ± 0.2
1151 PET-UNK-d61f3ea6-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCC(C5)(F)F −7.1 ± 0.3 5.2 ± 0.2
1152 EDG-MED-ba1ac7b9-22 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c([nH]cn6)CC5C(=O)N −7.09 ± 0.07 5.17 ± 0.05
1153 MAT-POS-f39f51fd-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cc4Cl)Cl −7.09 ± 0.09 5.16 ± 0.07
1154 VLA-UNK-9a7dc93f-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(c(c(c3)F)F)C#N −7.1 ± 0.4 5.2 ± 0.3
1155 ALF-EVA-5b152d2f-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCCOc4c3cc(cc4)Cl −7.1 ± 0.5 5.2 ± 0.4
1156 MAT-POS-61f37a1a-11 molecule COC(=O)CCc1c(con1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.08 ± 0.09 5.16 ± 0.07
1157 DAR-DIA-0587064e-21 molecule c1ccc(cc1)CCOc2cc(cc3c2NCCC3C(=O)Nc4cncc5c4cccc5)Cl −7.1 ± 0.2 5.2 ± 0.2
1158 ROB-UNI-322e8f70-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CS(=O)(=O)Nc4c3cc(cc4)Cl −7.1 ± 0.3 5.2 ± 0.2
1159 DAR-DIA-56cf811e-3 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/C#N −7.1 ± 0.4 5.2 ± 0.3
1160 ERI-UCB-ce40166b-11 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Oc4cccc(=O)[nH]4)C#N −7.1 ± 0.3 5.1 ± 0.2
1161 EDJ-MED-424a8a89-2 molecule CC(C)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.1 5.15 ± 0.09
1162 KAD-UNI-8a629cb0-34 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5[C@@H]6[C@@H]5COCC6 −7.1 ± 0.4 5.1 ± 0.3
1163 MIC-UNK-02d7a284-3 molecule CC(=O)NCC1CN(CC(=O)N1c2cccc(c2)Cl)C(=O)c3cncc4c3cccc4 −7.1 ± 0.1 5.15 ± 0.09
1164 DAR-DIA-0f2f46c9-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)S(=O)(=O)O −7.1 ± 0.1 5.1 ± 0.1
1165 ALP-POS-fe871b40-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(c(c4)F)Cl −7.1 ± 0.1 5.14 ± 0.08
1166 DAR-DIA-5ff57136-17 molecule c1ccc2c(c1)cncc2N(CC#CBr)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.1 ± 0.1 5.14 ± 0.10
1167 EDG-MED-ba1ac7b9-15 molecule CC1CN(CCN1C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −7.06 ± 0.09 5.14 ± 0.06
1168 NAU-LAT-a5c7d7cb-8 molecule c1ccc2c(c1)cncc2CNC(=O)COc3cccc(c3)Cl −7.1 ± 0.3 5.1 ± 0.2
1169 EDJ-MED-1981ceba-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)N5CCC5 −7.1 ± 0.2 5.1 ± 0.2
1170 MIC-UNK-67d4a29a-1 molecule CN(c1cncc2c1c(ccc2)Cl)C(=O)Cc3cccc(c3)Cl −7.1 ± 0.3 5.1 ± 0.2
1171 KAD-UNI-8a629cb0-32 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5[C@@H]6[C@@H]5CS(=O)(=O)C6 −7.1 ± 0.3 5.1 ± 0.3
1172 BRU-THA-01b12488-1 molecule C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −7.1 ± 0.5 5.1 ± 0.3
1173 BEN-DND-d1eb1f41-16 molecule c1ccc2c(c1)cncc2NC(Cc3ccc(c(c3)Cl)Cl)C(F)(F)F −7.1 ± 0.2 5.1 ± 0.1
1174 VLA-UCB-05e51b3f-9 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.1 ± 0.2 5.1 ± 0.2
1175 EDJ-MED-1981ceba-3 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −7.1 ± 0.2 5.1 ± 0.1
1176 MAT-POS-1f3f1a6f-2 molecule CN(C)C(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −7.05 ± 0.09 5.13 ± 0.07
1177 MIC-UNK-d58dbb53-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)OC5CCS(=O)(=O)C5 −7.04 ± 0.10 5.13 ± 0.07
1178 ALP-POS-7c6e02c7-3 molecule CN(C)c1ccc(nc1)N(Cc2ccc(c(c2)Cl)F)C(=O)Cc3cncc4c3cccc4 −7.0 ± 0.1 5.13 ± 0.08
1179 KAD-UNI-8a629cb0-19 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnc6c5CC(=O)N6 −7.0 ± 0.3 5.1 ± 0.2
1180 BEN-DND-f2e727cd-6 molecule CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −7.04 ± 0.09 5.13 ± 0.06
1181 DAR-DIA-0f2f46c9-14 molecule CN(C)S(=O)(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.1 5.13 ± 0.09
1182 PET-UNK-0cc03aae-3 molecule CS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.3 5.1 ± 0.2
1183 MIC-UNK-8758c41d-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CNC(=O)c4c3cc(c(c4)Cl)Cl −7.0 ± 0.2 5.1 ± 0.2
1184 DAR-DIA-b4e9dd8d-5 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)C3CNc4c3cc(cc4)Cl −7.0 ± 0.2 5.1 ± 0.1
1185 EDG-MED-90036822-17 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CF)O −7.0 ± 0.4 5.1 ± 0.3
1186 KAD-UNI-b13decd3-10 molecule COc1nc2ncc(cn2n1)CNC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.0 ± 0.1 5.1 ± 0.1
1187 RAL-THA-05e671eb-21 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cccc4Cl −7.0 ± 0.4 5.1 ± 0.3
1188 LON-WEI-4d77710c-20 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4 −7.0 ± 0.1 5.12 ± 0.08
1189 EDJ-MED-f893e2a1-10 molecule CC(C)(CNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C#N −7.0 ± 0.1 5.12 ± 0.08
1190 ERI-UCB-ce40166b-3 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)Oc4cccc(=O)[nH]4 −7.0 ± 0.4 5.1 ± 0.3
1191 DAR-DIA-5ff57136-5 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)C3=CCCc4c3cc(cc4)Cl −7.0 ± 0.2 5.1 ± 0.2
1192 ERI-UCB-d6de1f3c-2 molecule c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl −7.02 ± 0.10 5.11 ± 0.07
1193 MAT-POS-e6dd326d-9 molecule CC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.01 ± 0.07 5.11 ± 0.05
1194 JAG-UCB-706446eb-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)O −7.0 ± 0.3 5.1 ± 0.2
1195 EDJ-MED-fcba3f31-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −7.0 ± 0.5 5.1 ± 0.3
1196 EDG-MED-90036822-41 molecule Cn1ccnc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.7 5.1 ± 0.5
1197 EDJ-MED-841e0cf0-2 molecule CO[C@@]1(CN(Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.1 5.11 ± 0.09
1198 DAR-DIA-ecdbc7dd-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCNc4c3cc(cc4)Cl)CN5CCC5 −7.0 ± 0.1 5.11 ± 0.09
1199 EDJ-MED-1b5395f9-5 molecule CS(=O)(=O)N1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl −7.0 ± 0.2 5.1 ± 0.1
1200 RAL-THA-e002e396-13 molecule c1ccc(cc1)OCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.1 5.10 ± 0.09
Last updated 2021-06-04T18:13:56.580002+00:00
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