Compounds

Showing 301 through 400 of 657
Rank Compound SMILES ΔG / kcal M-1 pIC50
301 EDJ-MED-50fe53e8-2 molecule c1ccc2c(c1)c(cnn2)NC(=O)Cc3cccc(c3)Cl −6.08 ± 0.05 4.43 ± 0.03
302 ROB-UNI-daaf9793-2 molecule c1ccc2c(c1)C(CC(=O)N2)NC(=O)Cc3cccc(c3)Cl −6.1 ± 0.2 4.4 ± 0.1
303 MIC-UNK-8373f97b-2 molecule c1ccc2c(c1)C(C(=O)N2)(CC(=O)N)NC(=O)Cc3cccc(c3)Cl −6.1 ± 0.3 4.4 ± 0.2
304 PET-UNK-f92d7c0c-5 molecule c1cc(cc(c1)Cl)CC(=O)N[C@H]2CCOC2 −6.1 ± 0.2 4.4 ± 0.1
305 MAK-UNK-f203cb68-5 molecule Cc1ccncc1NC(=O)C(C)c2cccc(c2c3ccncc3NC(=O)C)Cl −6.1 ± 0.5 4.4 ± 0.3
306 MAT-POS-1e5f28a7-1 molecule Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=O)OC −6.05 ± 0.08 4.41 ± 0.06
307 EDG-MED-0da5ad92-14 molecule Cc1c(cccn1)NC(=O)Cc2cccc(c2)Cl −6.0 ± 0.1 4.40 ± 0.10
308 JIN-POS-6dc588a4-19 molecule c1ccc2c(c1)c(c[nH]c2=O)NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.1 4.40 ± 0.10
309 VLA-UCB-00f2c2b3-7 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3 −6.0 ± 0.1 4.40 ± 0.08
310 MAT-POS-3cc264b0-1 molecule c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.1 4.39 ± 0.09
311 MAK-UNK-6ca90168-24 molecule Cc1ccncc1NC(=O)C(=O)c2cccc(c2)Cl −6.0 ± 0.1 4.4 ± 0.1
312 TRY-UNI-714a760b-6 molecule Cc1ccncc1NC(=O)Cc2cccc(c2)Cl −6.02 ± 0.08 4.38 ± 0.06
313 EDJ-MED-c8e7a002-4 molecule Cc1ccn2cnnc2c1NC(=O)Cc3cccc(c3)Cl −6.01 ± 0.08 4.38 ± 0.06
314 NAU-LAT-a5c7d7cb-14 molecule c1ccc2c(c1)C(CC(=O)N2)NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.2 4.4 ± 0.1
315 BEN-DND-02317c5c-8 molecule c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.1 4.37 ± 0.08
316 EDJ-MED-976da9a6-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2OCCC3 −5.99 ± 0.07 4.36 ± 0.05
317 JOH-UNI-3fc3434e-4 molecule C#CC(=O)N1CCOc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −6.0 ± 0.2 4.4 ± 0.1
318 ADA-UNI-f8e79267-11 molecule CNCCC(c1cccc(c1)Cl)C(=O)Nc2cccnc2 −6.0 ± 0.2 4.4 ± 0.1
319 ADA-UCB-6c2cb422-8 molecule COc1ccccc1OC[C@@H](c2cccc(c2)Cl)C(=O)Nc3cc(=O)[nH]c4c3cccc4 −6.0 ± 0.3 4.3 ± 0.2
320 JAN-GHE-5a013bed-8 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccn2 −6.0 ± 0.3 4.3 ± 0.2
321 JOH-UNI-ee5ed7c8-9 molecule CN(c1c2ccccc2cnc1C#N)C(=O)Cc3cccc(c3)Cl −5.9 ± 0.4 4.3 ± 0.3
322 JIN-POS-6dc588a4-20 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2NCCC3 −5.95 ± 0.09 4.33 ± 0.06
323 MIC-UNK-50cce87d-4 molecule COc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −5.9 ± 0.2 4.3 ± 0.1
324 JIN-POS-6dc588a4-24 molecule c1ccc2c(c1)c(cnc2C#N)NC(=O)Cc3cccc(c3)Cl −5.92 ± 0.08 4.32 ± 0.06
325 JIN-POS-6dc588a4-4 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(F)(F)F −5.91 ± 0.10 4.31 ± 0.07
326 WIL-UNI-2e73223c-4 molecule Cc1ccncc1OCCNC(=O)C(C)(C)c2cccc(c2)Cl −5.9 ± 0.3 4.3 ± 0.2
327 PET-UNK-f92d7c0c-3 molecule CN([C@H]1CCOC1)C(=O)Cc2cccc(c2)Cl −5.9 ± 0.2 4.3 ± 0.1
328 EDG-MED-0da5ad92-12 molecule Cc1cc(cnc1)NC(=O)Cc2cccc(c2)Cl −5.9 ± 0.1 4.30 ± 0.08
329 PET-UNK-f92d7c0c-6 molecule c1cc(cc(c1)Cl)CC(=O)N[C@H]2CCCOC2 −5.9 ± 0.1 4.3 ± 0.1
330 JOH-UNI-6fede743-1 molecule c1ccc2c(c1)c(cnc2C(F)F)NC(=O)Cc3cccc(c3)Cl −5.9 ± 0.1 4.3 ± 0.1
331 MAR-TRE-f6f5f473-93 molecule Cc1ccc(cc1)Cn2c3cccnc3n(c2=O)CCNC(=O)Cc4cccc(c4)Cl −5.9 ± 0.2 4.3 ± 0.2
332 JOH-UNI-a38a7bdd-9 molecule Cc1ccncc1N(CC2CC2F)C(=O)Cc3cccc(c3)Cl −5.9 ± 0.1 4.29 ± 0.08
333 ALP-POS-0c2c77e1-1 molecule c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl −5.88 ± 0.08 4.29 ± 0.06
334 VLA-UNK-411a133b-2 molecule Cn1c(nnn1)NC(=O)Cc2cccc(c2)Cl −5.9 ± 0.2 4.3 ± 0.1
335 BAR-COM-0f94fc3d-38 molecule CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O −5.9 ± 0.2 4.3 ± 0.1
336 MAT-POS-bb423b95-4 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C3CC3 −5.9 ± 0.1 4.27 ± 0.08
337 JAN-GHE-5a013bed-7 molecule c1cc(cc(c1)Cl)CC(=O)Nc2nncs2 −5.9 ± 0.1 4.27 ± 0.09
338 PET-UNK-e44ffd04-1 molecule c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl −5.8 ± 0.1 4.26 ± 0.08
339 JIN-POS-6dc588a4-6 molecule CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl −5.85 ± 0.08 4.26 ± 0.06
340 DAR-DIA-076fb6ea-1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −5.8 ± 0.2 4.3 ± 0.2
341 TRY-UNI-714a760b-18 molecule Cc1ccncc1NC(=O)C(C)c2cccc(c2)Cl −5.83 ± 0.06 4.25 ± 0.05
342 ALP-POS-8b8a49e1-6 molecule c1ccc2c(c1)C(CC2=O)NC(=O)Cc3cccc(c3)Cl −5.83 ± 0.08 4.24 ± 0.06
343 NAU-LAT-a5c7d7cb-13 molecule c1ccc2c(c1)C(C(=O)N2)NC(=O)Cc3cccc(c3)Cl −5.8 ± 0.2 4.2 ± 0.1
344 JOH-UNI-a38a7bdd-6 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)C4CC4C(F)(F)F −5.8 ± 0.2 4.2 ± 0.1
345 MAT-POS-500ca5bf-2 molecule c1cc(cc(c1)Cl)CC(=O)N[C@H]2CCNC2=O −5.8 ± 0.2 4.2 ± 0.1
346 JOH-UNI-a38a7bdd-8 molecule Cc1ccncc1N(CC2CC2C(F)(F)F)C(=O)Cc3cccc(c3)Cl −5.8 ± 0.1 4.23 ± 0.09
347 ALP-POS-95b75b4d-8 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2Cl −5.79 ± 0.10 4.22 ± 0.07
348 NAU-LAT-e1818702-4 molecule c1cc(cc(c1)Cl)C(C(=O)Nc2nncn2C3CC3)(F)F −5.8 ± 0.1 4.21 ± 0.10
349 PET-UNK-f92d7c0c-9 molecule CN([C@@H]1COCc2c1cccc2)C(=O)Cc3cccc(c3)Cl −5.8 ± 0.1 4.21 ± 0.10
350 MAK-UNK-c749d764-32 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3CO)Cl −5.8 ± 0.1 4.2 ± 0.1
351 RUB-POS-1325a9ea-9 molecule COc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −5.8 ± 0.2 4.2 ± 0.1
352 EDG-MED-0da5ad92-10 molecule Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl −5.8 ± 0.2 4.2 ± 0.1
353 PET-UNK-1320d94d-28 molecule CN([C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)C(=O)[C@@H]4C[C@@H](O4)C(=O)N5CCCC5 −5.8 ± 0.2 4.2 ± 0.1
354 JOH-UNI-ee5ed7c8-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)C(=O)/C=C/C#N −5.8 ± 0.2 4.2 ± 0.1
355 JOH-UNI-abfda500-5 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(=O)N −5.7 ± 0.1 4.16 ± 0.09
356 JOH-UNI-ee5ed7c8-7 molecule CN(c1cncc2c1cccc2)C(=O)C(CC#N)c3cccc(c3)Cl −5.7 ± 0.2 4.2 ± 0.1
357 MAT-POS-bb423b95-5 molecule CC(C)c1ccncc1NC(=O)Cc2cccc(c2)Cl −5.71 ± 0.08 4.16 ± 0.06
358 MIC-UNK-8373f97b-5 molecule c1cc(cc(c1)Cl)CC(=O)NC2C3CCCC3NC2=O −5.7 ± 0.1 4.16 ± 0.08
359 RUB-POS-1325a9ea-20 molecule c1ccc2c(c1)COCC2NC(=O)Cc3cccc(c3)Cl −5.70 ± 0.07 4.15 ± 0.05
360 MAT-POS-0bc33984-2 molecule CC1(CCNC1=O)NC(=O)Cc2cccc(c2)Cl −5.7 ± 0.2 4.1 ± 0.1
361 JIN-POS-6dc588a4-23 molecule COc1c2ccccc2c(cn1)NC(=O)Cc3cccc(c3)Cl −5.7 ± 0.1 4.15 ± 0.08
362 DAR-DIA-56cf811e-6 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)C(=O)/C=C/C(F)(F)F −5.7 ± 0.3 4.1 ± 0.2
363 JAN-GHE-83b26c96-10 molecule Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)N(C)C −5.7 ± 0.1 4.1 ± 0.1
364 PET-UNK-8df914d1-2 molecule c1ccn2c(c1)ncc2NC(=O)Cc3cccc(c3)Cl −5.67 ± 0.09 4.13 ± 0.06
365 JAN-GHE-83b26c96-1 molecule CCC(c1cccc(c1)Cl)C(=O)Nc2cnncc2C −5.7 ± 0.1 4.1 ± 0.1
366 EDJ-MED-a364e151-1 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCC3 −5.7 ± 0.1 4.13 ± 0.08
367 ALP-POS-8b8a49e1-8 molecule c1cc(cc(c1)Cl)CC(=O)NC2CCNC(=O)C2 −5.7 ± 0.3 4.1 ± 0.2
368 EDG-MED-0da5ad92-5 molecule Cc1ccncc1NC(=O)C(CO)c2cccc(c2)Cl −5.7 ± 0.1 4.1 ± 0.1
369 ALP-POS-90e38439-3 molecule c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2 −5.7 ± 0.2 4.1 ± 0.1
370 DAR-DIA-076fb6ea-5 molecule c1ccc2c(c1)cncc2N(C#CC#N)C(=O)Cc3cccc(c3)Cl −5.6 ± 0.3 4.1 ± 0.2
371 JOH-UNI-50ce7ec3-2 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)S(=O)(=O)F −5.6 ± 0.3 4.1 ± 0.2
372 BEN-DND-1e24cf73-6 molecule COc1cccc(c1)n2cncc2NC(=O)Cc3cccc(c3)Cl −5.6 ± 0.2 4.1 ± 0.1
373 PET-UNK-e274cad4-6 molecule Cn1ccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl −5.6 ± 0.1 4.09 ± 0.09
374 NIR-THE-590dedc7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.6 ± 0.2 4.1 ± 0.1
375 MIC-UNK-5a93dd5f-4 molecule CC(=O)NC1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.6 ± 0.3 4.1 ± 0.2
376 JAN-GHE-83b26c96-3 molecule CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3 −5.6 ± 0.1 4.08 ± 0.09
377 PET-UNK-8df914d1-4 molecule Cn1cncc1NC(=O)Cc2cccc(c2)Cl −5.60 ± 0.08 4.08 ± 0.06
378 EDJ-MED-7bb79bc5-1 molecule COc1c(c2nnc(n2cn1)O)NC(=O)Cc3cccc(c3)Cl −5.6 ± 0.1 4.1 ± 0.1
379 BEN-DND-1e24cf73-5 molecule c1ccc(c(c1)n2cncc2NC(=O)Cc3cccc(c3)Cl)F −5.6 ± 0.2 4.1 ± 0.1
380 NAU-LAT-a5c7d7cb-2 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.6 ± 0.1 4.1 ± 0.1
381 NAU-LAT-e1818702-10 molecule c1cc(cc(c1)Cl)CC(=O)Nc2nncs2 −5.6 ± 0.1 4.05 ± 0.09
382 NAU-LAT-a5c7d7cb-6 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cc[nH]c(=O)c3 −5.6 ± 0.2 4.0 ± 0.1
383 JAN-GHE-5a013bed-11 molecule c1cc(cc(c1)Cl)CC(=O)Nc2[nH]nnn2 −5.55 ± 0.09 4.05 ± 0.06
384 JAG-UCB-a3ef7265-2 molecule Cn1cnnc1NC(=O)Cc2cccc(c2F)Cl −5.6 ± 0.2 4.0 ± 0.1
385 BAR-COM-ebf5acce-12 molecule Cc1ccncc1N(CNc2ccon2)C(=O)Cc3cccc(c3)Cl −5.5 ± 0.2 4.0 ± 0.1
386 JAN-GHE-d851b096-1 molecule Cc1ccncc1N(C(=O)Cc2cccc(c2)Cl)NC(=O)C=C −5.5 ± 0.2 4.0 ± 0.1
387 JOH-UNI-6fede743-5 molecule c1cc(cc(c1)Cl)CC(=O)Nc2c3cc(ccc3cnc2C(F)F)F −5.5 ± 0.2 4.0 ± 0.1
388 NAU-LAT-a5c7d7cb-12 molecule c1ccn2c(c1)nnc2NC(=O)Cc3cccc(c3)Cl −5.5 ± 0.1 4.02 ± 0.08
389 EDG-MED-0da5ad92-21 molecule Cc1c(cn[nH]1)NC(=O)Cc2cccc(c2)Cl −5.5 ± 0.1 4.0 ± 0.1
390 JIN-POS-6dc588a4-10 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccn3 −5.50 ± 0.08 4.01 ± 0.06
391 MAK-UNK-f203cb68-4 molecule Cc1ccncc1NC(=O)Cc2ccncc2NC(=O)C(C)c3cccc(c3)Cl −5.5 ± 0.2 4.0 ± 0.2
392 EDJ-MED-49816e9b-3 molecule Cc1cnn(c1NC(=O)Cc2cccc(c2)Cl)C −5.5 ± 0.2 4.0 ± 0.1
393 MIC-UNK-42806bd5-2 molecule c1cc(cc(c1)Cl)CC(=O)NC2CC(=O)NC2 −5.5 ± 0.2 4.0 ± 0.1
394 MIC-UNK-6ab519a7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.4 ± 0.2 4.0 ± 0.1
395 JOH-UNI-3fc3434e-13 molecule CN(c1cncc2c1c(ccc2)CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −5.4 ± 0.2 3.9 ± 0.1
396 VLA-UCB-05e51b3f-17 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −5.4 ± 0.1 3.9 ± 0.1
397 JIN-POS-6dc588a4-12 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc[nH]3 −5.4 ± 0.1 3.94 ± 0.08
398 BAR-COM-ebf5acce-5 molecule Cc1ccncc1N(c2c(c[nH]n2)OC)C(=O)Cc3cccc(c3)Cl −5.4 ± 0.2 3.9 ± 0.2
399 JAN-GHE-83b26c96-5 molecule Cc1ccncc1NC(=O)[C@@H](C)c2cccc(c2)Cl −5.4 ± 0.1 3.9 ± 0.1
400 EDJ-MED-976da9a6-2 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2CCCO3 −5.4 ± 0.1 3.91 ± 0.10
Last updated 2021-11-12T06:11:06.748777+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5