Compounds

Showing 1201 through 1300 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
1201 PET-UNK-0cc03aae-4 molecule CN(CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −7.0 ± 0.2 5.1 ± 0.2
1202 PET-UNK-1320d94d-23 molecule CN([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCOCC5 −7.0 ± 0.3 5.1 ± 0.3
1203 ALP-POS-a0a4abd7-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3ccc(c4)Cl)CNc5ccc[nH]c5=O −7.0 ± 0.2 5.1 ± 0.1
1204 EDG-MED-ba1ac7b9-8 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC#N)C5CC5 −7.0 ± 0.5 5.1 ± 0.3
1205 MAT-POS-5d65ec79-2 molecule CNC(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.00 ± 0.09 5.10 ± 0.07
1206 DAR-DIA-0587064e-15 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCC5CC5)Cl −7.00 ± 0.08 5.10 ± 0.06
1207 MIC-UNK-5a93dd5f-8 molecule CN(C)C1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.2 5.1 ± 0.1
1208 VLA-UNK-b9c208fe-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(c(c(c3)Cl)F)C#N −7.0 ± 0.1 5.10 ± 0.08
1209 EDJ-MED-ee07cf00-5 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)CNC(=O)c4ccc(cc4)C#N −6.99 ± 0.09 5.10 ± 0.07
1210 VLA-UNK-9a7dc93f-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(c(c(c3)Cl)F)F −7.0 ± 0.2 5.1 ± 0.1
1211 MAT-POS-b5746674-37 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)CC4CCCO4 −7.0 ± 0.1 5.09 ± 0.09
1212 ED_-GRI-5b13fbe2-29 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCOCCN −7.0 ± 0.5 5.1 ± 0.3
1213 ALP-POS-a577c8a2-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(S(=O)(=O)c4c3cc(cc4)Cl)Cc5[nH]ccn5 −7.0 ± 0.2 5.1 ± 0.2
1214 ED_-GRI-5b13fbe2-48 molecule CC(CNCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.0 ± 0.3 5.1 ± 0.2
1215 EDJ-MED-cf4b0d25-2 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 −6.98 ± 0.08 5.09 ± 0.06
1216 EDG-MED-90036822-106 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(CCN)(F)F −7.0 ± 0.5 5.1 ± 0.4
1217 KAD-UNI-8a629cb0-47 molecule Cn1cc(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.5 5.1 ± 0.3
1218 MAT-POS-4223bc15-14 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5CNC5 −7.0 ± 0.2 5.1 ± 0.1
1219 DAR-DIA-076fb6ea-1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −7.0 ± 0.4 5.1 ± 0.3
1220 EDJ-MED-c82a5324-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(=O)NC5COC5 −7.0 ± 0.1 5.1 ± 0.1
1221 MIC-UNK-06e5f114-2 molecule CS(=O)(=O)c1cccc(c1)NCc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl −7.0 ± 0.2 5.1 ± 0.1
1222 RAL-THA-6e4c80cf-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)OCc5cncs5 −7.0 ± 0.2 5.1 ± 0.1
1223 ED_-GRI-5b13fbe2-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCNCc5cc(no5)C(=O)O −7.0 ± 0.5 5.1 ± 0.4
1224 ALP-POS-64a710fa-1 molecule c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cccs4 −6.98 ± 0.09 5.08 ± 0.07
1225 PET-UNK-ab76d8f6-1 molecule CO[C@]1(CCS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc(c4)C#N −7.0 ± 0.2 5.1 ± 0.1
1226 PET-UNK-d9de6a0b-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CS(=O)(=O)C5 −7.0 ± 0.2 5.1 ± 0.1
1227 VLA-UNK-c65c1026-5 molecule c1ccc2c(c1)cncc2N3C(=O)CNC4(C3=O)COc5c4cc(cc5)Cl −7.0 ± 0.2 5.1 ± 0.1
1228 ALP-UNI-8e43a71e-16 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5ccc(cc5)S(=O)(=O)N −6.97 ± 0.09 5.08 ± 0.07
1229 MIC-UNK-d854bf4c-8 molecule CS(=O)(=O)N1CCC2(CC1)CCN(C(=O)C2c3ccc(c(c3)Cl)Cl)c4cncc5c4cccc5 −7.0 ± 0.2 5.1 ± 0.1
1230 MAT-POS-e9e99895-10 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN −6.97 ± 0.07 5.08 ± 0.05
1231 PET-UNK-689df078-2 molecule c1ccc2c(c1)cncc2N3C(=O)CO[C@H](C3=O)c4cccc(c4)Cl −7.0 ± 0.3 5.1 ± 0.2
1232 NIR-THE-47736cde-1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3COc4c3cc(cc4)Cl −7.0 ± 0.2 5.1 ± 0.1
1233 RAL-THA-2d450e86-31 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C(F)(F)F −6.96 ± 0.10 5.07 ± 0.07
1234 RAL-THA-05e671eb-16 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4Cl)Cl −7.0 ± 0.3 5.1 ± 0.2
1235 ERI-UCB-ce40166b-5 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)OC4CC(=O)N4 −7.0 ± 0.1 5.07 ± 0.08
1236 ED_-GRI-5b13fbe2-40 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CN)F −7.0 ± 0.4 5.1 ± 0.3
1237 EDJ-MED-9e38fd34-5 molecule C[C@]1(c2cc(c(cc2NC1=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.4 5.1 ± 0.3
1238 FRA-DIA-c7e803f4-1 molecule c1ccc2c(c1)cncc2NC(=O)C3COc4c3cccc4Cl −6.95 ± 0.09 5.07 ± 0.07
1239 EDJ-MED-670ad2ee-7 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl −7.0 ± 0.3 5.1 ± 0.2
1240 ALF-EVA-82cf4849-10 molecule c1cc2cncc(c2cc1CN)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl −6.9 ± 0.2 5.1 ± 0.1
1241 EDG-MED-70ae9412-2 molecule CN(C)CC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.95 ± 0.08 5.06 ± 0.06
1242 MAR-UCB-6ab2ec87-6 molecule CN1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.1 5.06 ± 0.10
1243 EDJ-MED-7587a9ee-2 molecule CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCCN(C3=O)c4cncc5c4cccc5)Cl −6.9 ± 0.2 5.1 ± 0.1
1244 ALP-POS-a0a4abd7-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3ccc(c4)Cl)CNc5c[nH]c(=O)[nH]c5=O −6.95 ± 0.08 5.06 ± 0.06
1245 ALP-POS-2da19ca7-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC(CC(=O)N)C5CCOCC5 −6.9 ± 0.3 5.1 ± 0.2
1246 ALP-UNI-ba800595-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(c(c4)F)Cl −6.9 ± 0.2 5.1 ± 0.2
1247 MAK-UNK-c749d764-10 molecule CSN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −6.9 ± 0.2 5.1 ± 0.1
1248 EDJ-MED-d203f206-36 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(C#N)C(=O)N −6.9 ± 0.4 5.1 ± 0.3
1249 MAT-POS-6344a35d-1 molecule COc1cccc(n1)Oc2cc(cc(c2)Cl)NC(=O)Cc3cncc4c3cccc4 −6.94 ± 0.09 5.05 ± 0.07
1250 MIC-UNK-cdc2493e-16 molecule c1ccc2c(c1)cncc2NC(=O)N(CCc3ccco3)c4cccc(c4)Cl −6.9 ± 0.3 5.1 ± 0.2
1251 MIC-UNK-c5a20098-2 molecule c1ccc2c(c1)cncc2C(=O)C(C3CN(C3)c4cccc(c4)Cl)(F)F −6.9 ± 0.5 5.1 ± 0.4
1252 ALP-POS-fe871b40-7 molecule COC1(CCOc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.3 5.0 ± 0.2
1253 EDJ-MED-6d9ff7d0-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)NCC5CCC(=O)N5 −6.9 ± 0.1 5.0 ± 0.1
1254 EDG-MED-90036822-38 molecule CC(CNCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −6.9 ± 0.3 5.0 ± 0.2
1255 KAD-UNI-cb0f2bbc-5 molecule CNC(=O)COc1ccc(cc1OC)CNC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.1 5.0 ± 0.1
1256 RAL-THA-05e671eb-28 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(c(cc4)Cl)F −6.9 ± 0.6 5.0 ± 0.4
1257 MIC-UNK-0a05c952-4 molecule c1ccc2c(c1)cncc2N3C(CCC(C3=O)c4ccc(c(c4)Cl)Cl)C5CO5 −6.92 ± 0.10 5.04 ± 0.07
1258 EDJ-MED-670ad2ee-6 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 −6.9 ± 0.2 5.0 ± 0.2
1259 DAR-DIA-0d514e7d-17 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(cc(c5)F)F −6.9 ± 0.4 5.0 ± 0.3
1260 DAR-DIA-6be260fc-4 molecule CC(C)[C@H]1CN(C(=O)C12CNc3c2cc(cc3)Cl)c4cncc5c4cccc5 −6.9 ± 0.3 5.0 ± 0.2
1261 MAT-POS-8293a91a-3 molecule c1cc2cncc(c2cc1C(F)(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −6.9 ± 0.2 5.0 ± 0.2
1262 ROB-UNI-322e8f70-1 molecule c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4NC(=O)N3)Cl −6.9 ± 0.1 5.03 ± 0.08
1263 ALP-POS-347519b5-3 molecule CS(=O)(=O)N1CC2C3CCC(C2C(C1)C(=O)Nc4cncc5c4cccc5)O3 −6.91 ± 0.07 5.03 ± 0.05
1264 EDJ-MED-93390d0c-2 molecule CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl −6.9 ± 0.3 5.0 ± 0.2
1265 EDG-MED-90036822-23 molecule CC(CCc1c(nn[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)N −6.9 ± 0.5 5.0 ± 0.4
1266 PET-UNK-12d8d43f-1 molecule c1ccc2c(c1)cncc2N(C=O)C(=O)Cc3cccc(c3)Cl −6.9 ± 0.3 5.0 ± 0.2
1267 DAR-DIA-0f7b7cd9-10 molecule c1ccc2c(c1)cncc2N3CCC(=O)N(C3=O)c4ccccc4Cl −6.9 ± 0.3 5.0 ± 0.2
1268 JOH-SUS-a69c159d-4 molecule c1ccc2c(c1)c(cnc2C(F)(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −6.9 ± 0.2 5.0 ± 0.2
1269 ALP-POS-c3a96089-1 molecule Cc1ccc(cc1)N(Cc2cscn2)C(=O)Cc3cncc4c3cccc4 −6.90 ± 0.10 5.03 ± 0.07
1270 EDJ-MED-6864a934-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5nnc6 −6.9 ± 0.3 5.0 ± 0.2
1271 EDG-MED-90036822-60 molecule CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5ccnc5 −6.9 ± 0.2 5.0 ± 0.2
1272 DAR-DIA-0f2f46c9-4 molecule CS(=O)(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.1 5.0 ± 0.1
1273 NIR-THE-590dedc7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.5 5.0 ± 0.4
1274 DAR-DIA-0f2f46c9-6 molecule CS(=O)(=O)N1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.1 5.02 ± 0.09
1275 ERI-UCB-ce40166b-2 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)OC4CCC(=O)N4 −6.9 ± 0.1 5.02 ± 0.08
1276 BEN-BAS-c2bc0d80-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CC=Nc4c3cc(cc4)Cl −6.9 ± 0.2 5.0 ± 0.2
1277 LON-WEI-5e7d1b3e-50 molecule CCCCN(CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3 −6.9 ± 0.4 5.0 ± 0.3
1278 ALP-POS-780445ae-2 molecule CC(C)(C)c1ccc(cc1)N(C(c2cncc3c2cccc3)C(=O)NCCN4CCOCC4)C(=O)c5cocn5 −6.9 ± 0.3 5.0 ± 0.2
1279 MAT-POS-fb82b63d-3 molecule CN1CCc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl −6.88 ± 0.05 5.01 ± 0.04
1280 MAT-POS-e9e99895-7 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)Cc4ccc(cc4)n5cnnn5 −6.88 ± 0.09 5.01 ± 0.07
1281 ALP-UNI-dbbfd3db-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −6.9 ± 0.1 5.01 ± 0.08
1282 EDJ-MED-c82a5324-1 molecule CNC(=O)C(CO)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −6.9 ± 0.2 5.0 ± 0.1
1283 EDG-MED-90036822-90 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5ccccc5F)N −6.9 ± 0.3 5.0 ± 0.2
1284 RAL-THA-05e671eb-29 molecule Cc1c(ccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4)Cl −6.9 ± 0.3 5.0 ± 0.2
1285 ED_-GRI-5b13fbe2-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](c5[nH]nnn5)N −6.9 ± 0.2 5.0 ± 0.2
1286 JOH-SUS-a69c159d-2 molecule c1ccc2c(c1)c(cnc2F)NC(=O)C3CCOc4c3cc(cc4)Cl −6.9 ± 0.2 5.0 ± 0.1
1287 MAK-UNK-ffc90da7-8 molecule CC(C)OCCCc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl −6.9 ± 0.4 5.0 ± 0.3
1288 LON-WEI-5e7d1b3e-33 molecule CC1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC −6.9 ± 0.4 5.0 ± 0.3
1289 BEN-DND-d1eb1f41-7 molecule CN1CCN(C(=O)[C@H]1c2cccc(c2)Cl)c3cncc4c3cccc4 −6.9 ± 0.2 5.0 ± 0.2
1290 LON-WEI-9739a092-7 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)NCc4ccc(cc4)Br −6.86 ± 0.09 5.00 ± 0.07
1291 LON-WEI-4d77710c-6 molecule CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −6.9 ± 0.3 5.0 ± 0.2
1292 RAL-THA-8416115c-9 molecule CN(C)C(=O)CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.85 ± 0.08 4.99 ± 0.06
1293 PET-UNK-824b5c6a-2 molecule CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.1 5.0 ± 0.1
1294 VLA-UNK-db5e3064-1 molecule c1ccc2c(c1)cncc2N3C(=O)COC(C3=O)c4cccc(c4)Cl −6.9 ± 0.3 5.0 ± 0.2
1295 KAD-UNI-80f122c8-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6CS(=O)(=O)CC6C5 −6.85 ± 0.06 4.99 ± 0.05
1296 KAD-UNI-877d7bed-19 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCc5cc(on5)S(=O)(=O)N)Cl −6.9 ± 0.1 5.0 ± 0.1
1297 KAD-UNI-cb0f2bbc-18 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5cnc(nc5)N6CCOCC6 −6.8 ± 0.2 5.0 ± 0.2
1298 LON-WEI-4d77710c-16 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −6.8 ± 0.1 4.99 ± 0.08
1299 EDJ-MED-d203f206-40 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O −6.8 ± 0.5 5.0 ± 0.4
1300 EDJ-MED-ee07cf00-12 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)COc4ccc(cc4)C(=O)N −6.84 ± 0.09 4.99 ± 0.06
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by fah-xchem version 0.1.0+79.gd44a60c.dirty