Compounds

Showing 2301 through 2400 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
2301 MAK-UNK-b7886382-5 molecule CN(C)c1ccc(cc1)N(C2CCCCN2)C(=O)Cc3cncc4c3cccc4 −5.0 ± 0.3 3.6 ± 0.2
2302 BEN-DND-6de5dfa0-11 molecule CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 −5.0 ± 0.6 3.6 ± 0.4
2303 MAT-POS-a3f7f96a-1 molecule c1ccc2c(c1)cncc2NC(=O)C34CCC(O3)c5c4ccc(c5)Cl −5.0 ± 0.2 3.6 ± 0.2
2304 UNK-UNK-2ede4078-34 molecule Cc1c(cc(cc1OC)C(=O)Nc2cncc3c2cccc3)OC −5.0 ± 0.3 3.6 ± 0.2
2305 ALP-POS-fe871b40-8 molecule COC1(CCNc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 −5.0 ± 0.5 3.6 ± 0.4
2306 RAL-THA-2d450e86-15 molecule Cc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −5.0 ± 0.5 3.6 ± 0.4
2307 RAL-THA-2d450e86-40 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3C#N −5.0 ± 0.4 3.6 ± 0.3
2308 EDG-MED-90036822-14 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CCN5CCOCC5)O −4.9 ± 0.4 3.6 ± 0.3
2309 DAR-DIA-6be260fc-3 molecule C[C@H]1CN(C(=O)C12CNc3c2cc(cc3)Cl)c4cncc5c4cccc5 −4.9 ± 0.3 3.6 ± 0.2
2310 VLA-UNK-f702bf1c-3 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6nc[nH]n6 −4.9 ± 0.3 3.6 ± 0.2
2311 PET-UNK-e5587e5d-1 molecule CCOCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.9 ± 0.3 3.6 ± 0.2
2312 JOH-UNI-ee5ed7c8-3 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)CC(F)(F)F −4.9 ± 0.4 3.6 ± 0.3
2313 RAL-THA-e002e396-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)N5CCOCC5 −4.9 ± 0.1 3.59 ± 0.09
2314 PET-UNK-9bf1291a-2 molecule CC(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3cc(cc4)F)OC)Cl −4.9 ± 0.7 3.6 ± 0.5
2315 ALP-POS-67d5babe-3 molecule CS(=O)(=O)CC1CCCN(C1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.9 ± 0.2 3.6 ± 0.1
2316 VLA-UCB-50c39ae8-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CCOc5c4cc(cc5)Cl −4.9 ± 0.3 3.6 ± 0.2
2317 ALP-POS-a0a4abd7-5 molecule Cc1cc(c[nH]c1=O)NCC2(CCOc3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −4.9 ± 0.4 3.6 ± 0.3
2318 RAL-THA-05e671eb-18 molecule Cc1cc(cc2c1OCCC2C(=O)Nc3cncc4c3cccc4)Cl −4.9 ± 0.4 3.6 ± 0.3
2319 ROB-UNI-8bf7c232-1 molecule C[C@H]1COc2cc(c(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)F)F −4.9 ± 0.2 3.6 ± 0.2
2320 KAD-UNI-8a629cb0-6 molecule Cn1c(=O)c2c(cn1)CN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −4.9 ± 0.4 3.6 ± 0.3
2321 EDG-MED-90036822-28 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −4.9 ± 0.5 3.6 ± 0.4
2322 ED_-GRI-5b13fbe2-55 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5(CNCC5CO)F −4.9 ± 0.3 3.6 ± 0.2
2323 EDJ-MED-ce467fd5-2 molecule CNC(=O)CN1CC(c2cc(c(cc2C1=O)F)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −4.9 ± 0.3 3.6 ± 0.2
2324 PET-UNK-b78139fa-6 molecule c1cc2c(cc1Cl)[C@@H](CS2(=O)=O)C(=O)Nc3cncc4c3cc(c(c4)F)F −4.9 ± 0.2 3.6 ± 0.1
2325 MAT-POS-de59a476-5 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)OCCO −4.9 ± 0.3 3.6 ± 0.2
2326 ALF-EVA-650655fc-2 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC3CCC3)c4cc(cc(c4)Cl)OC5CC(=O)N5 −4.9 ± 0.2 3.6 ± 0.2
2327 BEN-DND-d1eb1f41-17 molecule CC(C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −4.9 ± 0.4 3.6 ± 0.3
2328 KAD-UNI-8a629cb0-27 molecule C[C@@]1(CCN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −4.9 ± 0.5 3.6 ± 0.4
2329 JOH-UNI-a38a7bdd-2 molecule c1ccc2c(c1)cncc2N(CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −4.9 ± 0.3 3.6 ± 0.2
2330 EDJ-MED-0047eae5-2 molecule CN(C)S(=O)(=O)N1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4 −4.9 ± 0.2 3.6 ± 0.2
2331 JAG-UCB-571deb56-1 molecule CS(=NCc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)(=O)C −4.9 ± 0.3 3.6 ± 0.2
2332 EDJ-MED-4c7486ba-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −4.9 ± 0.5 3.6 ± 0.3
2333 PET-UNK-c65ea24c-13 molecule CC(=O)N1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)C#N)OC)Cl −4.9 ± 0.4 3.5 ± 0.3
2334 BEN-DND-d1eb1f41-12 molecule Cc1cccc2c1c(cnc2)N(C)C(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl −4.9 ± 0.5 3.5 ± 0.3
2335 EDG-MED-90036822-53 molecule CCn1cc(nc1)C(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −4.9 ± 0.4 3.5 ± 0.3
2336 RAL-THA-2d450e86-22 molecule COc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 −4.9 ± 0.5 3.5 ± 0.3
2337 MAT-POS-45b13633-4 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)O −4.9 ± 0.2 3.5 ± 0.2
2338 EDG-MED-4c68219f-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CCN6CCOCC6 −4.9 ± 0.6 3.5 ± 0.5
2339 ALP-UNI-3496895b-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn(n5)C6CCNC6=O −4.9 ± 0.5 3.5 ± 0.4
2340 DAR-DIA-ecdbc7dd-5 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN5CCOCC5 −4.9 ± 0.2 3.5 ± 0.2
2341 ROB-UNI-718ed485-1 molecule c1ccc2c(c1)cncc2NC(=O)C3=CCCc4c3cc(cc4)C(F)(F)F −4.8 ± 0.4 3.5 ± 0.3
2342 PET-UNK-9b23ef84-9 molecule CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)c3ncno3)C(=O)Nc4cncc5c4cccc5 −4.8 ± 0.2 3.5 ± 0.2
2343 DAR-DIA-0d514e7d-16 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccccc5F −4.8 ± 0.2 3.5 ± 0.1
2344 MIC-UNK-d36ab305-3 molecule CC(=O)Nc1ccc(cc1)N(c2cccc(c2)Cl)C(=O)Cc3cncc4c3cccc4 −4.8 ± 0.3 3.5 ± 0.2
2345 ALP-POS-a577c8a2-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CNS(=O)(=O)c4c3cc(cc4)Cl −4.8 ± 0.3 3.5 ± 0.2
2346 KAD-UNI-8a629cb0-46 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5ccc(=O)[nH]n5 −4.8 ± 0.6 3.5 ± 0.5
2347 EDJ-MED-d203f206-19 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@H](CCC[C@H]5CO)CO −4.8 ± 0.3 3.5 ± 0.2
2348 ALP-POS-f1807566-2 molecule COc1ccc2cncc(c2c1)NC(=O)C3CNC(=O)c4c3cc(cc4)Cl −4.8 ± 0.3 3.5 ± 0.2
2349 PET-UNK-acd70dee-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnco5 −4.8 ± 0.2 3.5 ± 0.2
2350 ALF-EVA-82cf4849-5 molecule Cc1c(cc2c(n1)NCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −4.8 ± 0.2 3.5 ± 0.2
2351 EDJ-MED-fcba3f31-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5n[nH]c(=O)s5 −4.8 ± 0.3 3.5 ± 0.2
2352 EDG-MED-4c68219f-16 molecule CNCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.8 ± 0.6 3.5 ± 0.5
2353 EDG-MED-90036822-70 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@@](C5)(CN)F −4.8 ± 0.5 3.5 ± 0.4
2354 DAR-DIA-ecdbc7dd-16 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC5 −4.8 ± 0.2 3.5 ± 0.1
2355 MAT-POS-dc2604c4-2 molecule COC1(CCC1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −4.8 ± 0.2 3.5 ± 0.2
2356 ALF-EVA-07677224-6 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)c5cnns5 −4.8 ± 0.1 3.5 ± 0.1
2357 MAT-POS-4223bc15-10 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC(C5)C#N −4.8 ± 0.1 3.49 ± 0.09
2358 PET-UNK-9b23ef84-8 molecule CO[C@]1(CN(Cc2c1cc(cc2)Cl)c3ncno3)C(=O)Nc4cncc5c4cccc5 −4.8 ± 0.3 3.5 ± 0.2
2359 EDJ-MED-827e7cb4-4 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CNC(=O)c4c3cc(cc4F)F −4.8 ± 0.2 3.5 ± 0.2
2360 RAL-THA-05e671eb-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)F −4.8 ± 0.3 3.5 ± 0.2
2361 MAT-POS-8293a91a-5 molecule CNC(=O)CN1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cccc4)Cl −4.8 ± 0.2 3.5 ± 0.2
2362 PET-UNK-1320d94d-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CCC[C@@H](O4)C(=O)N5CCCC5 −4.8 ± 0.2 3.5 ± 0.2
2363 RAL-THA-05e671eb-7 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)C#N −4.8 ± 0.5 3.5 ± 0.3
2364 DAR-DIA-ecdbc7dd-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)Cn5cnc6c5cccc6 −4.8 ± 0.2 3.5 ± 0.1
2365 RAL-THA-05e671eb-13 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4)F −4.8 ± 0.5 3.5 ± 0.4
2366 DAR-DIA-ecdbc7dd-13 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CN5CC5 −4.8 ± 0.1 3.46 ± 0.07
2367 ALF-EVA-a24cc7ce-4 molecule c1cc2cncc(c2cc1NC(=O)C3COc4c3cc(cc4)Cl)F −4.8 ± 0.2 3.5 ± 0.2
2368 ERI-UCB-b3e6b0c2-6 molecule c1cc2cncc(c2cc1CN3CCNCC3)NC(=O)[C@@H]4COc5c4cc(cc5)Cl −4.8 ± 0.3 3.5 ± 0.2
2369 ALP-UNI-8e43a71e-6 molecule CCN1CCN(CC1)C2CN(C2)C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −4.8 ± 0.2 3.5 ± 0.1
2370 ED_-GRI-5b13fbe2-62 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCOC5CNC5 −4.7 ± 0.5 3.5 ± 0.4
2371 EDJ-MED-827e7cb4-9 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CN(C(=O)c4c3cc(cc4)Cl)S(=O)(=O)CC5(CCC5)C#N −4.7 ± 0.2 3.5 ± 0.1
2372 MAT-POS-89e65850-2 molecule COC1=Nc2ccc(cc2C(C1)(C(=O)Nc3cncc4c3cccc4)OC)Cl −4.7 ± 0.4 3.5 ± 0.3
2373 EDG-MED-ba1ac7b9-24 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(F)(F)F)C5COC5 −4.7 ± 0.2 3.5 ± 0.1
2374 CHO-MSK-a31cca77-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nccnn5 −4.7 ± 0.3 3.4 ± 0.2
2375 MIC-UNK-89b52b17-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4CN5[C@@H]3CCS5(=O)=O)Cl −4.7 ± 0.4 3.4 ± 0.3
2376 PET-UNK-1320d94d-11 molecule CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N[C@H](c2ccc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −4.7 ± 0.3 3.4 ± 0.2
2377 ALP-UNI-0676e700-26 molecule Cn1cc(c(=O)[nH]c1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.7 ± 0.3 3.4 ± 0.2
2378 RAL-THA-05e671eb-26 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ncc(c4)Cl −4.7 ± 0.4 3.4 ± 0.3
2379 PET-UNK-b78139fa-16 molecule CO[C@]1(CS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F −4.7 ± 0.4 3.4 ± 0.3
2380 PET-UNK-03fd2068-11 molecule CO[C@]1(CN(Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3ccc(c4)F −4.7 ± 0.2 3.4 ± 0.2
2381 EDG-MED-90036822-65 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)CCF −4.7 ± 0.8 3.4 ± 0.6
2382 EDJ-MED-4c7486ba-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O −4.7 ± 0.4 3.4 ± 0.3
2383 EDG-MED-90036822-34 molecule COCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.7 ± 0.4 3.4 ± 0.3
2384 MAT-POS-78e1d523-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(c(c4)Cl)Cl −4.7 ± 0.2 3.4 ± 0.1
2385 VLA-UNK-56836b69-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(c(c5)Cl)Cl)NC3=O −4.7 ± 0.3 3.4 ± 0.2
2386 PET-UNK-162c14b2-2 molecule c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)CC#N −4.7 ± 0.2 3.4 ± 0.1
2387 ERI-UCB-b3e6b0c2-17 molecule CN1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3ccc(c4)OCCOC −4.7 ± 0.3 3.4 ± 0.2
2388 EDJ-MED-4c7486ba-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −4.7 ± 0.6 3.4 ± 0.4
2389 PET-UNK-9b23ef84-15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c(c4)F)Cl)c5ncon5 −4.7 ± 0.2 3.4 ± 0.2
2390 CHE-UNK-1fcbaeee-2 molecule C=CC(=O)c1cccc(c1)N(c2cncc3c2cccc3)C(=O)C4CCOc5c4cccc5 −4.7 ± 0.2 3.4 ± 0.2
2391 VLA-UNK-9a7dc93f-6 molecule COC(c1ccc(c(c1)Cl)F)C(=O)Nc2cncc3c2cccc3 −4.7 ± 0.4 3.4 ± 0.3
2392 EDJ-MED-827e7cb4-6 molecule CCC1(CNC(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −4.7 ± 0.2 3.4 ± 0.1
2393 DAR-DIA-0587064e-8 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCc4ccc(cc4Cl)F −4.7 ± 0.2 3.4 ± 0.1
2394 BEN-DND-d1eb1f41-3 molecule c1cc2cncc(c2cc1C(CO)O)NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl −4.6 ± 0.2 3.4 ± 0.2
2395 JAG-UCB-571deb56-2 molecule CS(=O)(=O)Cc1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −4.6 ± 0.3 3.4 ± 0.2
2396 BRU-THA-73c97d88-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C=N3 −4.6 ± 0.3 3.4 ± 0.2
2397 MIC-UNK-54748b58-4 molecule CNC(=O)CN1CC(c2cc(c(cc2S1(=O)=O)F)Cl)C(=O)Nc3cncc4c3cccc4 −4.6 ± 0.3 3.4 ± 0.2
2398 ROB-UNI-afd54964-1 molecule c1ccc2c(c1)[C@H](CCO2)C(=O)Nc3cncc4c3cc(c(c4)F)F −4.6 ± 0.3 3.4 ± 0.2
2399 ALP-POS-93b3621f-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)OC(F)(F)F −4.6 ± 0.3 3.4 ± 0.2
2400 LON-WEI-4d77710c-12 molecule CCOC(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −4.6 ± 0.1 3.36 ± 0.10
Last updated 2021-06-04T18:13:56.580002+00:00
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