Compounds

Showing 301 through 400 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
301 BAR-COM-0f94fc3d-47 molecule Cc1ccc2c(c1)c(co2)CC(=O)Nc3cncc4c3cccc4 −8.7 ± 0.2 6.3 ± 0.1
302 ERI-UCB-fbdd3ea1-27 molecule CC(C)(C)c1cc(no1)N(C(c2cncc3c2cccc3)C(=O)NC(C)(C)C)C(=O)C=C −8.7 ± 0.3 6.3 ± 0.2
303 BEN-BAS-c2bc0d80-6 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl −8.67 ± 0.09 6.32 ± 0.07
304 LON-WEI-4d77710c-30 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccccc4s3 −8.7 ± 0.2 6.3 ± 0.1
305 RAL-THA-1d44ff04-13 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(=O)NO −8.7 ± 0.5 6.3 ± 0.4
306 DAR-DIA-0cde14eb-52 molecule c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)F −8.7 ± 0.2 6.3 ± 0.2
307 ALP-UNI-dbbfd3db-4 molecule Cc1nc2n(n1)C[C@@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.7 ± 0.1 6.31 ± 0.10
308 LON-WEI-5e7d1b3e-6 molecule CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −8.7 ± 0.3 6.3 ± 0.2
309 DAR-DIA-0cde14eb-53 molecule c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)I −8.7 ± 0.2 6.3 ± 0.2
310 MAT-POS-b5746674-106 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N(CCCOC)C(C)c3ccncc3 −8.7 ± 0.1 6.31 ± 0.08
311 MAK-UNK-c749d764-29 molecule c1ccc2c(c1)cncc2N(C(=O)CC3CCCC(C3O)C(F)F)C(=O)ON −8.7 ± 0.2 6.3 ± 0.1
312 ALP-UNI-0676e700-25 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6nccn6c(=O)[nH]5 −8.6 ± 0.4 6.3 ± 0.3
313 MIC-UNK-91acba05-2 molecule CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 −8.6 ± 0.2 6.3 ± 0.2
314 MAT-POS-bbbbc21a-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3OCC4)Cl −8.65 ± 0.08 6.30 ± 0.06
315 ALP-POS-a0a4abd7-3 molecule Cn1c(=O)c(c[nH]c1=O)NCC2(CCOc3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −8.6 ± 0.3 6.3 ± 0.2
316 MAR-TRE-04c86cea-39 molecule COc1ccccc1n2cc(c3ccccc3c2=O)C(=O)Nc4ccc(nc4)OC −8.6 ± 0.2 6.3 ± 0.2
317 MAK-UNK-c749d764-8 molecule c1ccc2c(c1)cncc2NC(=O)CC3CCCC(C3O)C(F)F −8.6 ± 0.2 6.3 ± 0.2
318 MIC-UNK-d36ab305-1 molecule CC(=O)Nc1ccc(cc1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.6 ± 0.2 6.3 ± 0.1
319 MAT-POS-96f51285-3 molecule COc1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(c(c4)F)Cl −8.64 ± 0.07 6.29 ± 0.05
320 DAR-DIA-5ff57136-9 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.63 ± 0.10 6.29 ± 0.07
321 VLA-UCB-34f3ed0c-5 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CCc4cc[nH]n4 −8.6 ± 0.3 6.3 ± 0.2
322 EDG-MED-5d232de5-5 molecule CN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.63 ± 0.08 6.29 ± 0.06
323 ALP-POS-869ac754-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)Cl −8.63 ± 0.07 6.29 ± 0.05
324 EDJ-MED-d203f206-37 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[S+](CC5)[O-] −8.6 ± 0.3 6.3 ± 0.2
325 ED_-GRI-5b13fbe2-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCN(CC5)CC(=O)N −8.6 ± 0.3 6.3 ± 0.2
326 RAL-THA-2d450e86-6 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)F −8.62 ± 0.10 6.28 ± 0.07
327 MAK-UNK-c749d764-31 molecule CC/C=C(/c1cncc2c1cccc2)\C(=O)CC3CCCC(C3O)C(F)F −8.6 ± 0.2 6.3 ± 0.1
328 MAT-POS-ec6d90b7-7 molecule c1cc2cncc(c2cc1F)NC(=O)[C@H]3CCOc4c3cc(c(c4)F)Cl −8.61 ± 0.09 6.28 ± 0.07
329 KAD-UNI-8a629cb0-9 molecule C[C@@H](C(=O)N1CCN(CC1)C(=O)C)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.6 ± 0.5 6.3 ± 0.4
330 DAR-DIA-56cf811e-1 molecule C#CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −8.6 ± 0.3 6.3 ± 0.2
331 MAK-UNK-c749d764-24 molecule CCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −8.6 ± 0.2 6.3 ± 0.2
332 MIC-UNK-91acba05-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4)Cl −8.6 ± 0.3 6.3 ± 0.3
333 ERI-UCB-b3e6b0c2-18 molecule c1cc2c(cc1CN3CCNCC3)cncc2N4CC[C@@]5(C4=O)COc6c5cc(cc6)Cl −8.6 ± 0.3 6.3 ± 0.2
334 ALP-UNI-44c99a80-3 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −8.6 ± 0.3 6.3 ± 0.2
335 ALP-POS-3b848b35-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 −8.60 ± 0.09 6.27 ± 0.06
336 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −8.60 ± 0.07 6.26 ± 0.05
337 MAT-POS-090737b9-1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl −8.59 ± 0.10 6.26 ± 0.07
338 LON-WEI-9739a092-1 molecule COc1cc(nc(n1)Nc2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4)Cl −8.59 ± 0.10 6.26 ± 0.07
339 RAL-THA-2d450e86-17 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C#N −8.59 ± 0.10 6.26 ± 0.07
340 MAT-POS-a13804f0-4 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCCC5 −8.59 ± 0.08 6.26 ± 0.06
341 NAU-LAT-a5c7d7cb-2 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.6 ± 0.3 6.3 ± 0.2
342 MAT-POS-3b92565d-9 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 −8.6 ± 0.2 6.3 ± 0.1
343 EDG-MED-5d232de5-4 molecule CC(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.59 ± 0.09 6.25 ± 0.07
344 LON-WEI-4d77710c-42 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCc4c3cccc4 −8.6 ± 0.2 6.3 ± 0.2
345 MIC-UNK-644c43c7-4 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CNC(C(F)(F)F)C(F)(F)F −8.6 ± 0.4 6.3 ± 0.3
346 FRA-DIA-b66f7109-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(cc4Cl)OC5CC(=O)N5 −8.6 ± 0.2 6.2 ± 0.2
347 RAL-THA-2d450e86-14 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)F −8.58 ± 0.10 6.25 ± 0.07
348 EDJ-MED-d203f206-32 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6COCCN6C(=O)C5 −8.6 ± 0.5 6.2 ± 0.3
349 MIC-UNK-5d22d78d-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CC5 −8.56 ± 0.09 6.24 ± 0.07
350 ALP-POS-477dc5b7-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4)Cl −8.55 ± 0.08 6.23 ± 0.06
351 ADA-UCB-6c2cb422-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl −8.55 ± 0.09 6.23 ± 0.06
352 ERI-UCB-ce40166b-7 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)Oc4cccc(=O)[nH]4 −8.6 ± 0.3 6.2 ± 0.2
353 EDJ-MED-6864a934-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCO6 −8.5 ± 0.4 6.2 ± 0.3
354 ADA-UCB-dc2b944c-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@]34C[C@H]3COc5c4cc(cc5)Cl −8.5 ± 0.4 6.2 ± 0.3
355 ALP-POS-5bb456a5-2 molecule CC1CN(CCC1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −8.5 ± 0.2 6.2 ± 0.2
356 NAU-LAT-2fed8305-9 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(co3)Cl −8.5 ± 0.2 6.2 ± 0.2
357 MAT-POS-96f51285-5 molecule c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(c(c4)F)Cl −8.54 ± 0.09 6.22 ± 0.07
358 LAU-MED-88a3970a-12 molecule CNCCCc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.5 ± 0.2 6.2 ± 0.2
359 ADA-UCB-dc2b944c-17 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCCC3)c4cc(ccc4Cl)Cl −8.5 ± 0.3 6.2 ± 0.2
360 ALP-POS-e0fe77e5-10 molecule c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCNc5c4cc(c(c5)Cl)Cl −8.5 ± 0.4 6.2 ± 0.3
361 ALP-UNI-0676e700-20 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cnnn6 −8.5 ± 0.4 6.2 ± 0.3
362 NAU-LAT-2fed8305-5 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cs3)Cl −8.5 ± 0.2 6.2 ± 0.2
363 MIC-UNK-91acba05-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(cc4)Cl −8.53 ± 0.07 6.21 ± 0.05
364 EDG-MED-ba1ac7b9-26 molecule C[C@@H]1CN([C@H](CN1C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C)CCO −8.5 ± 0.2 6.2 ± 0.1
365 NAU-LAT-a5c7d7cb-5 molecule CC(=O)N1CCN(CC1)C(c2ccc(cc2)N(C)C)C(=O)Cc3cncc4c3cccc4 −8.5 ± 0.2 6.2 ± 0.2
366 EDJ-MED-670ad2ee-1 molecule CO[C@]1(CN(Cc2c1cc(c(c2)Cl)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.3 6.2 ± 0.2
367 EDJ-MED-ee07cf00-14 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cn4c(=O)c(=O)n5c(n4)CCC5 −8.52 ± 0.09 6.21 ± 0.06
368 ALP-POS-477dc5b7-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCCc4c3cc(cc4)Cl −8.52 ± 0.07 6.21 ± 0.05
369 EDJ-MED-841e0cf0-6 molecule CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl −8.5 ± 0.1 6.21 ± 0.09
370 ED_-GRI-5b13fbe2-21 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CNC[C@@H](O5)CO −8.5 ± 0.1 6.2 ± 0.1
371 DAR-DIA-ecdbc7dd-4 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN5CCC5 −8.5 ± 0.1 6.20 ± 0.10
372 EDJ-MED-d203f206-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@H](C6)C(=O)N −8.5 ± 0.6 6.2 ± 0.4
373 DAR-DIA-f6ee7aeb-4 molecule c1ccc2c(c1)cncc2N3CC(C(CC3=O)c4cc(cc(c4)Cl)OCCC(F)(F)F)c5c[nH]c(=O)[nH]c5=O −8.5 ± 0.2 6.2 ± 0.1
374 MIC-UNK-bcd487e9-7 molecule c1ccc2c(c1)cncc2NC(=O)N(Cc3c[nH]nn3)c4cccc(c4)Cl −8.5 ± 0.3 6.2 ± 0.2
375 MAT-POS-2492181e-7 molecule CC1CCN(CC1)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −8.5 ± 0.1 6.20 ± 0.09
376 MAT-POS-dd3ad2b5-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)N −8.51 ± 0.08 6.20 ± 0.06
377 LON-WEI-4d77710c-58 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccc(cc4s3)OC −8.5 ± 0.2 6.2 ± 0.1
378 EDJ-MED-d203f206-39 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(C(=O)N)O −8.5 ± 0.4 6.2 ± 0.3
379 KAD-UNI-cb0f2bbc-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5c(nc6ccccn6c5=O)N7CCOCC7 −8.5 ± 0.1 6.19 ± 0.09
380 JAG-UCB-706446eb-5 molecule COCCN(C1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.2 6.2 ± 0.2
381 MIC-UNK-b9827f26-2 molecule c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cc(cc(c4)Cl)Cl −8.5 ± 0.1 6.19 ± 0.09
382 ALF-EVA-650655fc-3 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC3CCCC3)c4cc(cc(c4)Cl)OC5CC(=O)N5 −8.5 ± 0.2 6.2 ± 0.1
383 EDJ-MED-12c115cc-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl −8.49 ± 0.10 6.19 ± 0.07
384 MIK-ENA-fc9ceda2-1 molecule COC1(CCOc2c1cc(cc2)Cl)CNc3cncc4c3cccc4 −8.5 ± 0.1 6.19 ± 0.07
385 RAL-THA-8416115c-4 molecule CCCN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.2 6.2 ± 0.1
386 EDJ-MED-6d9ff7d0-1 molecule COCCCCN[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.2 6.2 ± 0.1
387 RAL-THA-05e671eb-36 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4)C#N −8.5 ± 0.4 6.2 ± 0.3
388 KAD-UNI-8a629cb0-44 molecule CS(=O)(=O)N1CC[C@@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.4 6.2 ± 0.3
389 ALP-POS-fe871b40-2 molecule c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4C#N)Cl −8.48 ± 0.09 6.18 ± 0.06
390 EDJ-MED-6864a934-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(c5)CO)CO −8.5 ± 0.4 6.2 ± 0.3
391 DAR-DIA-0d514e7d-1 molecule C[C@H]1COc2c(cc(cc2OC)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.1 6.17 ± 0.08
392 MIC-UNK-02d7a284-2 molecule CCC(=O)N1CCC2(CC1)CN(CC(=O)N2c3cccc(c3)Cl)C(=O)c4cncc5c4cccc5 −8.5 ± 0.1 6.17 ± 0.10
393 MAK-UNK-c749d764-15 molecule CC(N(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F)OCC4CCCCC4 −8.5 ± 0.1 6.2 ± 0.1
394 DAR-DIA-6a508060-8 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)C5CC5 −8.5 ± 0.3 6.2 ± 0.2
395 ERI-UCB-b3e6b0c2-5 molecule c1cc2cncc(c2cc1CN3CCNCC3)NC(=O)[C@@H]4CNc5c4cc(cc5)Cl −8.5 ± 0.2 6.2 ± 0.2
396 PET-UNK-3e354a91-1 molecule c1ccc2c(c1)cncc2N3[C@H](CC[C@H](C3=O)c4cccc(c4)Cl)C#N −8.5 ± 0.2 6.2 ± 0.2
397 ERI-UCB-ce40166b-8 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cc(cc(c3)Cl)Oc4cccnc4 −8.5 ± 0.2 6.2 ± 0.1
398 RAL-THA-1d44ff04-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCc4[nH]ccn4 −8.5 ± 0.2 6.2 ± 0.1
399 DAR-DIA-0d514e7d-28 molecule C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −8.5 ± 0.2 6.2 ± 0.1
400 KAD-UNI-8a629cb0-8 molecule C[C@@H](C(=O)N)N1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.5 6.2 ± 0.4
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by fah-xchem version 0.1.0+79.gd44a60c.dirty