Compounds

Showing 301 through 400 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
301 EN300-1241327_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCOCC5 −9.7 ± 0.2 7.1 ± 0.1
302 EN300-90142_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCCC(C5)C(=O)N −9.7 ± 0.2 7.1 ± 0.2
303 EDJ-MED-e4b030d8-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5COC5)Cl −9.7 ± 0.2 7.1 ± 0.2
304 EN300-77464_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.7 ± 0.2 7.1 ± 0.2
305 EN300-173006_2 molecule CC(c1nnnn1C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.3 7.1 ± 0.2
306 EN300-6255179_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cncn5 −9.7 ± 0.2 7.1 ± 0.1
307 MAK-UNK-3875bbc8-1 molecule Cc1ccc2c(c1)C(CCO2)C(=O)N(C)c3cncc4c3cccc4 −9.7 ± 0.1 7.08 ± 0.08
308 EN300-87334_4 molecule Cn1c(ncn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.3 7.1 ± 0.2
309 EN300-6494158_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CC(CO5)CO −9.7 ± 0.2 7.1 ± 0.2
310 EN300-11195_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC5 −9.7 ± 0.2 7.1 ± 0.1
311 EN300-18564_1 molecule CC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.3 7.1 ± 0.2
312 EN300-261986_3 molecule CS(=O)(=O)N1CCC(C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.3 7.1 ± 0.2
313 EN300-23317_2 molecule CC(C(=O)NCCOC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.5 7.1 ± 0.3
314 EN300-11195_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC5 −9.7 ± 0.2 7.1 ± 0.2
315 EN300-317555_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5=NCCO5 −9.7 ± 0.3 7.1 ± 0.2
316 EN300-67573_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CCOCC5 −9.7 ± 0.2 7.1 ± 0.2
317 EN300-6746890_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@@](C5)(F)CO)cc1 −9.7 ± 0.3 7.1 ± 0.2
318 EN300-50488_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)OCC(F)(F)F −9.7 ± 0.3 7.0 ± 0.2
319 DAR-DIA-0d514e7d-4 molecule C[C@H]1COc2c(cc(cc2OC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.3 7.0 ± 0.2
320 EN300-246248_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5CCNC5=O −9.7 ± 0.2 7.0 ± 0.2
321 EN300-43206_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCS5(=O)=O −9.7 ± 0.3 7.0 ± 0.3
322 EN300-216673_4 molecule Cn1c(cnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.3 7.0 ± 0.2
323 EN300-2977549_3 molecule CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.2 7.0 ± 0.1
324 EDJ-MED-e4b030d8-6 molecule CCC[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −9.7 ± 0.1 7.04 ± 0.08
325 EN300-108413_1 molecule CC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −9.7 ± 0.3 7.0 ± 0.2
326 EN300-98648_2 molecule CN1CCC(C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.2 7.0 ± 0.1
327 MAK-UNK-8be7dca9-4 molecule c1cc2cncc(c2cc1N3CCNCC3)NC(=O)C4CCOc5c4cc(cc5)Cl −9.66 ± 0.10 7.04 ± 0.07
328 EN300-1988306_4 molecule CS(=O)(=O)CCC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.4 7.0 ± 0.3
329 EN300-1448603_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CCS(=O)(=O)C5 −9.6 ± 0.3 7.0 ± 0.2
330 EN300-109535_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CC(=O)OC5 −9.6 ± 0.2 7.0 ± 0.1
331 EN300-125769_1 molecule COCCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
332 EN300-125140_1 molecule COCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
333 DAR-DIA-23e5a6a0-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(N5)COC6)Cl −9.6 ± 0.2 7.0 ± 0.2
334 DAR-DIA-5ff57136-1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −9.6 ± 0.2 7.0 ± 0.2
335 PET-UNK-29afea89-1 molecule C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.1 7.02 ± 0.08
336 EN300-132624_3 molecule CCC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
337 EN300-53918_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCN5CCOC5=O −9.6 ± 0.3 7.0 ± 0.2
338 EN300-1696058_1 molecule CC(=O)OCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
339 EN300-686903_1 molecule CCCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.4 7.0 ± 0.3
340 EN300-6238494_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)C5COCCO5 −9.6 ± 0.2 7.0 ± 0.2
341 EN300-48886_1 molecule CC(=O)NC1CCCN(C1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.3 7.0 ± 0.2
342 EN300-306316_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]cnn5 −9.6 ± 0.2 7.0 ± 0.2
343 EN300-113112_2 molecule Cn1cnnc1COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.2 7.0 ± 0.2
344 EN300-77359_1 molecule CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC −9.6 ± 0.3 7.0 ± 0.2
345 EN300-120282_1 molecule Cn1cc(nn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.2 7.0 ± 0.2
346 EN300-125140_3 molecule COCC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
347 EN300-64247_3 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOCC5 −9.6 ± 0.4 7.0 ± 0.3
348 EN300-204936_4 molecule Cn1c(cnn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.3 7.0 ± 0.2
349 EN300-207765_1 molecule CN1C(CCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.3 7.0 ± 0.2
350 EN300-7003350_1 molecule CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.1 6.98 ± 0.09
351 EN300-123614_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)NC(=O)N −9.6 ± 0.3 7.0 ± 0.2
352 EN300-249764_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5CCC5)O −9.6 ± 0.3 7.0 ± 0.2
353 EN300-331828_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5COC[C@H]5O −9.6 ± 0.3 7.0 ± 0.2
354 EN300-51257_1 molecule CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −9.6 ± 0.2 7.0 ± 0.2
355 EN300-17381_4 molecule CC(C(=O)N)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.2 7.0 ± 0.1
356 EN300-02067_3 molecule CC(COC)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.6 ± 0.3 7.0 ± 0.2
357 EN300-120820_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cn[nH]c5=O −9.5 ± 0.3 7.0 ± 0.2
358 EDJ-MED-28ec730d-2 molecule COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.2 7.0 ± 0.2
359 EN300-104592_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCC5CCC(=O)N5 −9.5 ± 0.3 7.0 ± 0.2
360 JOH-SUS-a69c159d-6 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −9.55 ± 0.07 6.95 ± 0.05
361 EN300-156995_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCc5c[nH]nn5 −9.5 ± 0.3 7.0 ± 0.2
362 EN300-7396882_2 molecule CC1(CC(C1)O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.3 7.0 ± 0.2
363 EN300-218116_3 molecule CC(CO)(CO)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.3 7.0 ± 0.2
364 EN300-101505_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(=O)N5 −9.5 ± 0.2 7.0 ± 0.2
365 EN300-302290_4 molecule CS(=O)(=O)N1CC(C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.3 7.0 ± 0.3
366 EN300-2972220_3 molecule CC(C)[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −9.5 ± 0.3 6.9 ± 0.2
367 EN300-1253122_4 molecule CCN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.2 6.9 ± 0.2
368 EN300-46832_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC5CCOC5 −9.5 ± 0.2 6.9 ± 0.2
369 EN300-360157_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCOC5)O −9.5 ± 0.2 6.9 ± 0.2
370 VLA-UCB-34f3ed0c-1 molecule C=C(C#N)C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.5 ± 0.2 6.9 ± 0.1
371 EN300-1071940_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCCOC5)O −9.5 ± 0.2 6.9 ± 0.2
372 EN300-331828_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5COC[C@H]5O −9.5 ± 0.2 6.9 ± 0.1
373 EN300-90225_4 molecule Cn1nc(nn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.3 6.9 ± 0.2
374 EN300-1915260_4 molecule COCC(COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.5 ± 0.4 6.9 ± 0.3
375 EN300-226314_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)C5CCS(=O)(=O)C5 −9.5 ± 0.3 6.9 ± 0.2
376 EN300-393148_3 molecule CN1C(CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.2 6.9 ± 0.2
377 EN300-6487407_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5[C@H](CC(=O)O5)O −9.5 ± 0.6 6.9 ± 0.4
378 EN300-302058_3 molecule CON1CCC(C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.3 6.9 ± 0.2
379 EN300-77092_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5OCCO5 −9.5 ± 0.3 6.9 ± 0.2
380 EN300-98018_3 molecule CC(=O)N1CCC(C1)(C)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.4 6.9 ± 0.3
381 EN300-107267_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5CCCNC5=O −9.5 ± 0.3 6.9 ± 0.2
382 EN300-23223_3 molecule CNC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.3 6.9 ± 0.2
383 VLA-UCB-34f3ed0c-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5cc[nH]n5 −9.5 ± 0.3 6.9 ± 0.2
384 EN300-23317_1 molecule CC(C(=O)NCCOC)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.4 6.9 ± 0.3
385 MAK-UNK-83e0a0b4-4 molecule CCCCc1ccc2c(c1)C(CCO2)C(=O)N(CCNC3CNC3)c4cncc5c4cccc5 −9.5 ± 0.4 6.9 ± 0.3
386 EN300-103187_3 molecule CCOCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.5 6.9 ± 0.3
387 DAR-DIA-0d514e7d-8 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N −9.49 ± 0.08 6.91 ± 0.06
388 EN300-22880_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCC(C5)C(=O)N −9.5 ± 0.3 6.9 ± 0.2
389 EN300-6736413_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5CCNC5=O −9.5 ± 0.2 6.9 ± 0.2
390 EN300-1265949_3 molecule CC(C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.5 6.9 ± 0.3
391 EN300-1215738_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCC5CCC(=O)NC5 −9.5 ± 0.4 6.9 ± 0.3
392 EN300-173903_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CO −9.5 ± 0.3 6.9 ± 0.2
393 EN300-197715_1 molecule Cc1nnnn1CCCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.3 6.9 ± 0.2
394 EN300-28340_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(=O)N5CCCC5 −9.5 ± 0.5 6.9 ± 0.3
395 EN300-22880_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCC(C5)C(=O)N −9.5 ± 0.3 6.9 ± 0.2
396 EN300-1699871_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CCS(=O)(=O)N5 −9.5 ± 0.3 6.9 ± 0.2
397 EN300-222969_4 molecule CN1CC(OC1=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.4 6.9 ± 0.3
398 EN300-143449_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN(=O)=O −9.5 ± 0.3 6.9 ± 0.2
399 EN300-1253178_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC5CC5 −9.5 ± 0.2 6.9 ± 0.1
400 EN300-216063_1 molecule CN(C)C(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.5 ± 0.1 6.89 ± 0.10
Last updated 2021-02-08T01:55:35.061410+00:00
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