Compounds

Showing 201 through 300 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
201 MAT-POS-0c8fa4a7-1 molecule c1ccc2c(c1)cncc2NC(=O)C3=CCCc4c3cc(cc4)Cl −9.05 ± 0.10 6.59 ± 0.07
202 LON-WEI-4d77710c-7 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCc4ccccc4C3 −9.0 ± 0.2 6.6 ± 0.2
203 EDG-MED-90036822-79 molecule Cc1c(c(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −9.0 ± 0.4 6.6 ± 0.3
204 ALF-EVA-5b152d2f-6 molecule C[C@H]1CCOc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −9.0 ± 0.4 6.6 ± 0.3
205 MIC-UNK-9582b2c5-2 molecule CC(=O)N1CCC2C(C1)CC(C(=O)N2c3cccc(c3)Cl)c4cncc5c4cccc5 −9.0 ± 0.2 6.6 ± 0.1
206 MAT-POS-ec6d90b7-5 molecule c1cc2cncc(c2cc1F)NC(=O)[C@H]3CCNc4c3cc(c(c4)Cl)Cl −9.01 ± 0.10 6.56 ± 0.07
207 EDJ-MED-50011917-3 molecule COc1c(cc(cc1CC(=O)Nc2cncc3c2cccc3)Cl)CC4CC(=O)N4 −9.0 ± 0.3 6.6 ± 0.2
208 VLA-UCB-1dbca3b4-18 molecule c1ccc2c(c1)cncc2N3C(=O)C(CNC3=O)c4cccc(c4)Cl −9.0 ± 0.1 6.56 ± 0.10
209 VLA-UCB-1dbca3b4-3 molecule c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)c4cccc(c4)Cl −9.0 ± 0.2 6.6 ± 0.1
210 RAL-THA-e002e396-1 molecule CS(=O)(=O)CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.2 6.6 ± 0.1
211 PET-UNK-1901c25b-1 molecule CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4 −9.00 ± 0.10 6.55 ± 0.07
212 MAK-UNK-f481d203-4 molecule c1ccc(cc1)[C@@H](C(=O)Nc2cncc3c2cccc3)N −9.0 ± 0.4 6.5 ± 0.3
213 PET-UNK-c9c1e0d8-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Br −9.0 ± 0.3 6.5 ± 0.2
214 ADA-UCB-dc2b944c-13 molecule C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −9.0 ± 0.3 6.5 ± 0.2
215 PET-UNK-431b3bfb-1 molecule c1ccc2c(c1)cncc2N3CCO[C@H](C3=O)c4cccc(c4)Cl −9.0 ± 0.2 6.5 ± 0.1
216 MAT-POS-23a8a11a-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)Cl −8.95 ± 0.09 6.52 ± 0.07
217 LON-WEI-4d77710c-31 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3 −8.9 ± 0.2 6.5 ± 0.2
218 EDJ-MED-e4b030d8-2 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.94 ± 0.09 6.52 ± 0.07
219 ALF-EVA-ced740bd-4 molecule c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)F −8.9 ± 0.1 6.51 ± 0.10
220 MIC-UNK-cdc2493e-8 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4CCC5CCCCC5C4 −8.9 ± 0.1 6.5 ± 0.1
221 DAR-DIA-5ff57136-15 molecule C#CC1(CC1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −8.9 ± 0.5 6.5 ± 0.3
222 VLA-UCB-34f3ed0c-14 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CCCCC6 −8.9 ± 0.3 6.5 ± 0.2
223 EDG-MED-ba1ac7b9-5 molecule CCC(CO)N1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4 6.5 ± 0.3
224 PET-UNK-824b5c6a-1 molecule CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.2 6.5 ± 0.1
225 KAD-UNI-8a629cb0-10 molecule CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.9 ± 0.3 6.5 ± 0.2
226 ALP-UNI-0676e700-27 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6cncn6c(=O)[nH]5 −8.9 ± 0.3 6.5 ± 0.2
227 MAK-UNK-ffc90da7-4 molecule CC(CNCC1CCCO1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.1 6.5 ± 0.1
228 ED_-GRI-5b13fbe2-16 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(c5cn(nn5)CC6CC6)N −8.9 ± 0.2 6.5 ± 0.1
229 EDG-MED-5d232de5-1 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.90 ± 0.10 6.48 ± 0.07
230 MAT-POS-2492181e-8 molecule CC1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C −8.9 ± 0.2 6.5 ± 0.2
231 MIC-UNK-50cce87d-3 molecule Cc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −8.90 ± 0.09 6.48 ± 0.07
232 JAG-UCB-706446eb-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn[nH]5 −8.9 ± 0.3 6.5 ± 0.2
233 EDG-MED-90036822-30 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CNC5COC5)(F)F −8.9 ± 0.2 6.5 ± 0.2
234 ALP-POS-ce760d3f-5 molecule c1cc2cncc(c2cc1F)NC(=O)C3=CCOc4c3cc(cc4)Cl −8.9 ± 0.4 6.5 ± 0.3
235 MAT-POS-3ccb8ef6-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNCc4c3cc(cc4)Cl −8.89 ± 0.08 6.47 ± 0.06
236 EDJ-MED-841e0cf0-4 molecule C[C@@]1(CN(Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −8.9 ± 0.2 6.5 ± 0.1
237 ALP-UNI-8e43a71e-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)N6C5CCCC6 −8.9 ± 0.1 6.46 ± 0.08
238 ALP-POS-2da19ca7-7 molecule CC1CN(CCC1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −8.9 ± 0.3 6.5 ± 0.2
239 PET-UNK-c5865d42-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(C4CCN4)(F)F −8.9 ± 0.3 6.5 ± 0.2
240 MAK-UNK-c749d764-26 molecule c1ccc2c(c1)cncc2NC(=O)CC3CCCCC(C3O)Cl −8.9 ± 0.2 6.5 ± 0.1
241 ALP-POS-75715966-2 molecule CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4 −8.9 ± 0.2 6.5 ± 0.1
242 ADA-UCB-dc2b944c-8 molecule c1cc2c(cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)c(c1)Cl −8.9 ± 0.3 6.5 ± 0.2
243 KAD-UNI-b13decd3-8 molecule COC(=O)CCc1c(con1)CNC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.1 6.45 ± 0.08
244 VLA-UNK-f702bf1c-4 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 −8.9 ± 0.3 6.4 ± 0.3
245 EDJ-MED-e4b030d8-13 molecule C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.85 ± 0.09 6.45 ± 0.07
246 MIC-UNK-cdc2493e-17 molecule CC(=O)N1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.8 ± 0.4 6.4 ± 0.3
247 MAT-POS-96f51285-6 molecule COc1ccc2cncc(c2c1)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl −8.84 ± 0.09 6.44 ± 0.07
248 ALP-UNI-dbbfd3db-16 molecule Cn1c2c(cn1)c(=O)n(cn2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.8 ± 0.1 6.44 ± 0.09
249 NIR-THE-af15c15d-1 molecule CC#CC(=O)N(c1cncc2c1cccc2)C(=O)C3COc4c3cc(cc4)Cl −8.8 ± 0.1 6.4 ± 0.1
250 MIC-UNK-9582b2c5-1 molecule CC(=O)N1CCC2C(C1)CN(C(=O)C2c3cccc(c3)Cl)c4cncc5c4cccc5 −8.8 ± 0.4 6.4 ± 0.3
251 ALP-UNI-3496895b-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)N6C5CCCC6 −8.8 ± 0.4 6.4 ± 0.3
252 EDJ-MED-d203f206-30 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@@H]5C(=O)N −8.8 ± 0.4 6.4 ± 0.3
253 ALP-POS-966f8da6-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −8.8 ± 0.2 6.4 ± 0.1
254 EDG-MED-90036822-13 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO −8.8 ± 0.2 6.4 ± 0.1
255 MIC-UNK-cdc2493e-10 molecule CC(=O)NC1CCC(C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.8 ± 0.2 6.4 ± 0.1
256 ERI-UCB-d6de1f3c-5 molecule c1ccc2c(c1)cncc2C(=O)N3CC(N(C(=O)C3)c4cccc(c4)Cl)CC5CCCCC5 −8.8 ± 0.3 6.4 ± 0.2
257 KAD-UNI-80f122c8-5 molecule CN(C1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −8.8 ± 0.3 6.4 ± 0.2
258 MIC-UNK-cdc2493e-2 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCO3)c4cccc(c4)Cl −8.8 ± 0.3 6.4 ± 0.2
259 EDJ-MED-d08626de-3 molecule CO[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −8.82 ± 0.09 6.43 ± 0.07
260 MAT-POS-6c284e65-1 molecule CN(C)c1ccc(nc1)N(Cc2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4 −8.82 ± 0.10 6.42 ± 0.07
261 RAL-THA-4aa06b95-3 molecule CNC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.8 ± 0.3 6.4 ± 0.2
262 MAT-POS-993cdc78-1 molecule CO[C@@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 −8.81 ± 0.09 6.42 ± 0.06
263 DAR-DIA-0d514e7d-13 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5)F −8.8 ± 0.2 6.4 ± 0.2
264 EDJ-MED-92e193ae-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl −8.80 ± 0.10 6.41 ± 0.07
265 ALP-UNI-3735e77e-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl −8.80 ± 0.10 6.41 ± 0.07
266 KAD-UNI-8a629cb0-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 −8.8 ± 0.2 6.4 ± 0.2
267 EDJ-MED-9e38fd34-6 molecule C[C@@]1(c2cc(c(cc2NC1=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −8.8 ± 0.3 6.4 ± 0.2
268 ERI-UCB-ce40166b-9 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)OC4CC(=O)N4)C#N −8.8 ± 0.2 6.4 ± 0.1
269 EDG-MED-0e5afe9d-3 molecule COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.79 ± 0.10 6.40 ± 0.07
270 MAT-POS-f7918075-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −8.8 ± 0.2 6.4 ± 0.1
271 MIC-UNK-c66144cb-2 molecule c1ccc2c(c1)cncc2NC(=O)C(CCc3ccc(cc3)F)c4cccc(c4)Cl −8.8 ± 0.3 6.4 ± 0.2
272 RAL-THA-b00e3cbf-1 molecule c1ccc2c(c1)c(cnc2C#N)NC(=O)C3CCOc4c3cc(cc4)Cl −8.8 ± 0.2 6.4 ± 0.2
273 EDJ-MED-d203f206-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CS(=O)(=O)C[C@]6(C5)C#N −8.8 ± 0.4 6.4 ± 0.3
274 DAR-DIA-6a508060-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)C#N −8.8 ± 0.3 6.4 ± 0.2
275 BEN-DND-c852c98b-4 molecule c1cc2cncc(c2cc1O)NC(=O)C3CCOc4c3cc(cc4)Cl −8.75 ± 0.09 6.37 ± 0.07
276 LON-WEI-4d77710c-45 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 −8.7 ± 0.2 6.4 ± 0.2
277 MAT-POS-3b92565d-2 molecule COc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −8.7 ± 0.2 6.4 ± 0.1
278 DAR-DIA-5ff57136-2 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −8.7 ± 0.1 6.4 ± 0.1
279 DAR-DIA-23e5a6a0-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(N5)CC6)Cl −8.7 ± 0.2 6.4 ± 0.1
280 KAD-UNI-8a629cb0-33 molecule CC[C@H](CN1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.7 ± 0.4 6.4 ± 0.3
281 DAR-DIA-9e4459de-13 molecule c1cc2c(cc1OCCOCNC3=CC=CC4C3C(=O)N(C4=O)C5CCC(=O)NC5=O)cncc2NC(=O)C6CCOc7c6cc(cc7)Cl −8.7 ± 0.2 6.4 ± 0.2
282 MAR-UCB-6ab2ec87-2 molecule C[C@@H]1[C@H](c2cc(ccc2N1)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.2 6.4 ± 0.2
283 FRA-DIA-13af2da5-1 molecule CN(C)c1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.7 ± 0.2 6.4 ± 0.2
284 LON-WEI-5e7d1b3e-29 molecule CCOC(=O)Cc1csc(n1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −8.7 ± 0.3 6.4 ± 0.3
285 EDJ-MED-d203f206-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ncon5 −8.7 ± 0.5 6.4 ± 0.4
286 DAR-DIA-0cde14eb-48 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C4(CC4)F −8.7 ± 0.2 6.4 ± 0.2
287 LAU-MED-88a3970a-13 molecule COCCCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.7 ± 0.4 6.4 ± 0.3
288 RAL-THA-05e671eb-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)F)Cl −8.72 ± 0.08 6.35 ± 0.06
289 MIC-UNK-91acba05-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CNC(=O)c4c3cc(cc4)Cl −8.71 ± 0.09 6.35 ± 0.07
290 MAK-UNK-8be7dca9-2 molecule c1cc2c(cc1CC(=O)N)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −8.7 ± 0.3 6.3 ± 0.2
291 MAK-UNK-c749d764-2 molecule CCC1CCCC(C1O)CC(=O)Nc2cncc3c2cccc3 −8.7 ± 0.2 6.3 ± 0.1
292 DAR-DIA-0d514e7d-14 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cccc(c5F)F −8.7 ± 0.2 6.3 ± 0.2
293 MAK-UNK-8be7dca9-4 molecule c1cc2cncc(c2cc1N3CCNCC3)NC(=O)C4CCOc5c4cc(cc5)Cl −8.7 ± 0.2 6.3 ± 0.1
294 NAU-LAT-0543f7f2-9 molecule CC(=O)NCCOc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −8.7 ± 0.3 6.3 ± 0.2
295 DAR-DIA-5ff57136-1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −8.7 ± 0.2 6.3 ± 0.2
296 ALP-POS-fe871b40-14 molecule c1ccc2c(c1)cncc2NC(=O)C3CC(=O)Nc4c3cc(cn4)Cl −8.7 ± 0.4 6.3 ± 0.3
297 MAT-POS-f9802937-7 molecule COc1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl −8.69 ± 0.10 6.33 ± 0.07
298 MAT-POS-4223bc15-26 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)CC(F)(F)F −8.7 ± 0.2 6.3 ± 0.1
299 VLA-UCB-50c39ae8-6 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.7 ± 0.3 6.3 ± 0.2
300 DAR-DIA-ecdbc7dd-12 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCNc4c3cc(cc4)Cl)CN5CCCCC5 −8.7 ± 0.1 6.32 ± 0.08
Last updated 2021-06-04T18:13:56.580002+00:00
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