Compounds

Showing 301 through 400 of 408
Rank Compound SMILES ΔG / kcal M-1 pIC50
301 VLA-UNK-f2612802-1 molecule CNC(=O)CN1C([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F −4.2 ± 0.7 3.1 ± 0.5
302 VLA-UNK-61877630-10 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F −4.1 ± 0.8 3.0 ± 0.5
303 MAT-POS-50a80394-7 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C −3.9 ± 0.3 2.9 ± 0.2
304 EDJ-MED-3707c4bc-1 molecule CC(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −3.9 ± 0.8 2.8 ± 0.6
305 JOH-MSK-1f2dff76-4 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl −3.9 ± 0.4 2.8 ± 0.3
306 PET-UNK-94036022-5 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −3.8 ± 0.6 2.8 ± 0.5
307 ALP-POS-ecbed2ba-17 molecule CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −3.8 ± 0.8 2.8 ± 0.6
308 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −3.8 ± 0.6 2.7 ± 0.5
309 MAT-POS-38eb6498-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −3.6 ± 0.9 2.6 ± 0.6
310 MAT-POS-1a788f51-4 molecule CC(C)(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −3.6 ± 1.0 2.6 ± 0.7
311 MIK-ENA-794411b8-1 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −3.4 ± 0.3 2.5 ± 0.2
312 ALP-POS-ecbed2ba-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −3 ± 1 2.5 ± 0.8
313 LUO-POS-ed2cfb03-1 molecule CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −3.2 ± 1.0 2.3 ± 0.7
314 MIC-UNK-c85ea37c-2 molecule CCC(=O)Nc1ccc(cc1)C2CN(C(=O)C23CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 −3.2 ± 0.6 2.3 ± 0.5
315 PET-UNK-94036022-6 molecule C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −3 ± 1 2.2 ± 0.8
316 EDJ-MED-976a33d5-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −3.0 ± 0.8 2.2 ± 0.6
317 EDG-MED-b1ef7fe3-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −3.0 ± 0.5 2.2 ± 0.4
318 PET-UNK-94036022-4 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl −2.6 ± 0.8 1.9 ± 0.6
319 MIK-ENA-7066949b-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −2.6 ± 0.7 1.9 ± 0.5
320 EDJ-MED-b6c6ee2b-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −2.6 ± 0.4 1.9 ± 0.3
321 PET-UNK-6af7266d-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −2.5 ± 0.6 1.8 ± 0.5
322 MAT-POS-853c0ffa-10 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC −2.4 ± 0.7 1.7 ± 0.5
323 PET-UNK-94036022-13 molecule C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −2 ± 1 1.7 ± 0.8
324 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −2.3 ± 0.8 1.7 ± 0.6
325 LUO-POS-f7b1afe6-2 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C −2.2 ± 0.9 1.6 ± 0.7
326 LUO-POS-8484f2d3-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −2.2 ± 0.7 1.6 ± 0.5
327 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −2.1 ± 0.8 1.5 ± 0.6
328 EDJ-MED-33064c06-6 molecule CN1CC(C1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −2.1 ± 0.6 1.5 ± 0.4
329 MAT-POS-853c0ffa-19 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl −1.8 ± 0.9 1.3 ± 0.7
330 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −1.6 ± 0.7 1.2 ± 0.5
331 MAT-POS-50a80394-8 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C −1 ± 1 1.0 ± 0.8
332 EDJ-MED-ee81482e-3 molecule CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −1.3 ± 0.4 0.9 ± 0.3
333 MAT-POS-e48723dc-1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −1.1 ± 0.5 0.8 ± 0.4
334 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −1.1 ± 0.7 0.8 ± 0.5
335 PET-UNK-14142a25-10 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −0.9 ± 0.5 0.7 ± 0.4
336 EDJ-MED-468565e0-3 molecule c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −0.8 ± 0.7 0.6 ± 0.5
337 LUO-POS-9931618f-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −0.6 ± 0.5 0.5 ± 0.4
338 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −0.5 ± 0.5 0.4 ± 0.4
339 PET-UNK-6af7266d-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −0.4 ± 0.5 0.3 ± 0.4
340 ALP-POS-c3a90b22-11 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 −0.4 ± 0.3 0.3 ± 0.2
341 EDJ-MED-33064c06-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O −0.4 ± 0.6 0.3 ± 0.4
342 MAT-POS-40ad851a-2 molecule CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −0.2 ± 0.7 0.1 ± 0.5
343 EDJ-MED-0d144977-3 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −0.2 ± 0.6 0.1 ± 0.4
344 VLA-UNK-61877630-5 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl −0.1 ± 0.7 0.1 ± 0.5
345 EDJ-MED-33064c06-12 molecule CC(C)(CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)O −0.1 ± 0.7 0.0 ± 0.5
346 EDJ-MED-33064c06-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 0.1 ± 0.6 −0.1 ± 0.4
347 EDJ-MED-33064c06-3 molecule CNC1(CC1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl 0.1 ± 0.8 −0.1 ± 0.6
348 EDJ-MED-40e596c8-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 0.2 ± 0.4 −0.1 ± 0.3
349 ALP-POS-ecbed2ba-13 molecule CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N 0.3 ± 1.0 −0.2 ± 0.7
350 MAT-POS-ddfe83c6-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl 0.5 ± 0.7 −0.4 ± 0.5
351 DAR-DIA-6be260fc-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl 0.5 ± 0.6 −0.4 ± 0.4
352 EDJ-MED-cc48ee33-2 molecule Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl 0.6 ± 0.5 −0.4 ± 0.4
353 VLA-UNK-8e615992-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl 0.6 ± 0.6 −0.4 ± 0.4
354 EDJ-MED-468565e0-1 molecule c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 0.6 ± 0.8 −0.4 ± 0.5
355 EDJ-MED-468565e0-4 molecule c1cc2cncc(c2cc1OCCN3CCC(CC3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 0.6 ± 0.6 −0.4 ± 0.4
356 MIK-ENA-37e0b697-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl 0.8 ± 0.7 −0.6 ± 0.5
357 VLA-UNK-e334495f-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N 0.9 ± 0.9 −0.6 ± 0.6
358 EDJ-MED-5cd3920d-2 molecule c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 1.1 ± 0.9 −0.8 ± 0.6
359 ALP-POS-ecbed2ba-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N 1 ± 1 −0.8 ± 0.7
360 MAT-POS-40ad851a-3 molecule CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 1.2 ± 0.5 −0.9 ± 0.3
361 EDJ-MED-4138fde9-5 molecule CNCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NC 1.4 ± 0.7 −1.0 ± 0.5
362 EDJ-MED-d4864bdc-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl 1.4 ± 0.6 −1.0 ± 0.4
363 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C 1.6 ± 0.6 −1.2 ± 0.4
364 LUO-POS-e1dab717-6 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl 1.7 ± 0.8 −1.2 ± 0.6
365 MAT-POS-50a80394-2 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 1.7 ± 0.7 −1.2 ± 0.5
366 ALP-POS-afe0272e-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl 1.8 ± 0.7 −1.3 ± 0.5
367 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl 1.8 ± 0.8 −1.3 ± 0.6
368 EDJ-MED-ee81482e-1 molecule c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 2 ± 1 −1.3 ± 0.8
369 MAT-POS-853c0ffa-12 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O 1.8 ± 0.8 −1.3 ± 0.6
370 ALP-POS-ecbed2ba-3 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl 1.8 ± 1.0 −1.3 ± 0.7
371 EDJ-MED-94fddcec-7 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl 2.0 ± 0.7 −1.4 ± 0.5
372 LUO-POS-ed2cfb03-2 molecule CNS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 2.0 ± 0.8 −1.5 ± 0.6
373 EDJ-MED-dfa1d800-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl 2.1 ± 0.7 −1.5 ± 0.5
374 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl 2.1 ± 0.7 −1.5 ± 0.5
375 PET-UNK-94036022-3 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl 2.2 ± 0.9 −1.6 ± 0.6
376 PET-UNK-c6bcc80b-6 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl 2.2 ± 0.8 −1.6 ± 0.6
377 EDJ-MED-4138fde9-6 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCNCC(F)(F)F)c6cc(ccc6C2=O)Cl 2.6 ± 0.7 −1.9 ± 0.5
378 ALP-POS-ecbed2ba-21 molecule CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 2.8 ± 1.0 −2.0 ± 0.7
379 EDJ-MED-3707c4bc-2 molecule CC(C)(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 2.9 ± 0.9 −2.1 ± 0.7
380 EDJ-MED-b6c6ee2b-3 molecule COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 2.9 ± 0.7 −2.1 ± 0.5
381 ALP-POS-ecbed2ba-22 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N 2.9 ± 0.7 −2.1 ± 0.5
382 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl 2.9 ± 0.8 −2.1 ± 0.6
383 VLA-UNK-f2612802-2 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl 3.0 ± 0.7 −2.2 ± 0.5
384 EDJ-MED-468565e0-2 molecule c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 3.1 ± 0.9 −2.2 ± 0.6
385 EDJ-MED-98c0a822-1 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl 3.4 ± 1.0 −2.4 ± 0.7
386 EDJ-MED-468565e0-5 molecule c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 3.4 ± 1.0 −2.5 ± 0.7
387 EDJ-MED-5cd3920d-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F 3.5 ± 0.8 −2.6 ± 0.6
388 LUO-POS-e1dab717-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 3.7 ± 0.9 −2.7 ± 0.6
389 EDJ-MED-4138fde9-2 molecule c1cc2cncc(c2cc1OCCNCC(F)(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 3.8 ± 0.8 −2.8 ± 0.6
390 ALP-POS-c3a90b22-9 molecule CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl 4.1 ± 0.6 −3.0 ± 0.4
391 ALP-POS-ecbed2ba-16 molecule CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 4 ± 1 −3.0 ± 0.7
392 MAT-POS-853c0ffa-9 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 4.2 ± 0.9 −3.1 ± 0.7
393 EDJ-MED-7587a9ee-3 molecule CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 4.5 ± 0.8 −3.3 ± 0.6
394 LUO-POS-e1dab717-16 molecule CC1(CC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6)C 4.6 ± 0.9 −3.3 ± 0.7
395 EDJ-MED-f9b78f78-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl 4.6 ± 0.6 −3.4 ± 0.4
396 MAT-POS-1a788f51-3 molecule CC(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N 5 ± 1 −3.7 ± 0.8
397 ALP-POS-ecbed2ba-15 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N 5.3 ± 0.9 −3.8 ± 0.7
398 EDJ-MED-ede5c6cb-1 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl 5.5 ± 0.8 −4.0 ± 0.6
399 EDJ-MED-ee81482e-4 molecule c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N 5.5 ± 1.0 −4.0 ± 0.7
400 ALP-POS-ecbed2ba-19 molecule CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl 5.6 ± 1.0 −4.1 ± 0.7
Last updated 2022-02-23T00:42:41.077604+00:00
Generated by fah-xchem version pre-sprint-5+177.gc0e6636.dirty