Compounds

Showing 501 through 600 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
501 EN300-95639_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C(C5)O)CO −9.1 ± 0.3 6.6 ± 0.2
502 EN300-267469_3 molecule CS(=NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(=O)C −9.1 ± 0.4 6.6 ± 0.3
503 EN300-221518_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCCO −9.1 ± 0.1 6.65 ± 0.08
504 EN300-87334_1 molecule Cn1c(ncn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.1 ± 0.2 6.6 ± 0.2
505 EN300-131093_1 molecule CC(C(=O)NCC(=O)C)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.3 6.6 ± 0.2
506 EN300-270710_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)N −9.1 ± 0.3 6.6 ± 0.2
507 EN300-378760_2 molecule CS(=O)(=O)[C@H]1C[C@@H](C1)NC(=O)CC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 −9.1 ± 0.3 6.6 ± 0.2
508 EN300-114133_3 molecule CCC(=O)N1CCC(C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.1 ± 0.3 6.6 ± 0.2
509 EN300-127487_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(=O)NC5 −9.1 ± 0.3 6.6 ± 0.2
510 EN300-312850_3 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −9.1 ± 0.4 6.6 ± 0.3
511 EN300-101197_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5[nH]cnn5 −9.1 ± 0.3 6.6 ± 0.2
512 EN300-23019_2 molecule CC(C)(C)NC(=O)CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.4 6.6 ± 0.3
513 EN300-42520_1 molecule CN(C)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.3 6.6 ± 0.2
514 EN300-6504697_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CC6(CC6)S(=O)(=O)N5 −9.1 ± 0.3 6.6 ± 0.3
515 EN300-89418_3 molecule CC(CO)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.1 ± 0.4 6.6 ± 0.3
516 FRA-DIA-b66f7109-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)OC5CC(=O)N5 −9.1 ± 0.2 6.6 ± 0.1
517 EN300-107267_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5CCCNC5=O −9.1 ± 0.3 6.6 ± 0.2
518 EN300-10895_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCC#N −9.1 ± 0.3 6.6 ± 0.2
519 EN300-23214_3 molecule CCCNC(=O)C(C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.4 6.6 ± 0.3
520 EN300-48886_2 molecule CC(=O)NC1CCCN(C1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.1 ± 0.4 6.6 ± 0.3
521 EN300-189563_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCC5CS(=O)(=O)C5 −9.1 ± 0.3 6.6 ± 0.2
522 EN300-7003350_3 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.2 6.6 ± 0.1
523 EN300-2977549_4 molecule CNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.1 ± 0.2 6.6 ± 0.1
524 EN300-10397_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)N −9.1 ± 0.2 6.6 ± 0.2
525 DAR-DIA-6a508060-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4CC5CC(=O)N5)Cl −9.1 ± 0.1 6.62 ± 0.10
526 EN300-204936_2 molecule Cn1c(cnn1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.1 ± 0.3 6.6 ± 0.3
527 EN300-1268016_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6C5CC(C6)C(=O)N −9.1 ± 0.3 6.6 ± 0.3
528 EN300-134855_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(c5cccnc5)O −9.1 ± 0.5 6.6 ± 0.3
529 EN300-23226_1 molecule CC(=O)N1CCC(CC1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.1 ± 0.4 6.6 ± 0.3
530 EN300-110012_2 molecule CCC(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −9.1 ± 0.7 6.6 ± 0.5
531 EN300-1425677_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCO5)CO −9.1 ± 0.4 6.6 ± 0.3
532 EN300-741822_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC[C@H]([C@H](C5)O)O −9.1 ± 0.4 6.6 ± 0.3
533 EN300-364679_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cnnn5 −9.1 ± 0.3 6.6 ± 0.2
534 EN300-05512_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CCS(=O)(=O)C5 −9.1 ± 0.4 6.6 ± 0.3
535 EN300-861925_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC(CO)F −9.1 ± 0.2 6.6 ± 0.1
536 EN300-52467_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCOCCO −9.1 ± 0.2 6.6 ± 0.1
537 EN300-1241327_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCOCC5 −9.1 ± 0.2 6.6 ± 0.1
538 EN300-210553_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC(C5)(C(=O)N)O −9.1 ± 0.3 6.6 ± 0.2
539 EN300-181492_3 molecule C=CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.1 ± 0.3 6.6 ± 0.2
540 EN300-2977549_2 molecule CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.1 6.6 ± 0.1
541 EN300-1600517_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(CO)F −9.0 ± 0.3 6.6 ± 0.2
542 EN300-216673_1 molecule Cn1c(cnn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3 6.6 ± 0.2
543 EN300-6473273_3 molecule Cn1c(ccn1)C(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −9.0 ± 0.2 6.6 ± 0.1
544 EN300-19242_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO −9.0 ± 0.3 6.6 ± 0.2
545 EN300-72730_1 molecule CC(C#N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.2 6.6 ± 0.2
546 EN300-1600517_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(CO)F −9.0 ± 0.2 6.6 ± 0.2
547 EN300-67573_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CCOCC5 −9.0 ± 0.3 6.6 ± 0.2
548 EN300-120282_4 molecule Cn1cc(nn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3 6.6 ± 0.2
549 EN300-154332_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC5CO −9.0 ± 0.3 6.6 ± 0.2
550 EN300-98648_4 molecule CN1CCC(C1=O)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.2 6.6 ± 0.2
551 EN300-19700_2 molecule COC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.1 6.57 ± 0.09
552 EN300-6472847_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CN(C5)C(=O)N −9.0 ± 0.3 6.6 ± 0.2
553 EN300-63872_3 molecule Cn1cc(cn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3 6.6 ± 0.2
554 EN300-268198_1 molecule CC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −9.0 ± 0.2 6.6 ± 0.1
555 EN300-117059_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CC5)CO −9.0 ± 0.3 6.6 ± 0.2
556 EN300-96886_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H](C5)O)O −9.0 ± 0.3 6.6 ± 0.2
557 EN300-761618_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cccnn5 −9.0 ± 0.2 6.6 ± 0.1
558 EN300-19507_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(F)F −9.0 ± 0.2 6.6 ± 0.1
559 EN300-378316_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5cc[nH]c6=O −9.0 ± 0.3 6.6 ± 0.2
560 EN300-263153_3 molecule Cn1cc(nn1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.3 6.6 ± 0.2
561 EN300-17381_1 molecule CC(C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.1 6.55 ± 0.10
562 DAR-DIA-23e5a6a0-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)CC6)Cl −9.0 ± 0.4 6.5 ± 0.3
563 EN300-05754_3 molecule CC(C(=O)N1CCOCC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.0 ± 0.4 6.5 ± 0.3
564 EN300-6493060_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6[C@@H]([C@@H]5CO6)O −9.0 ± 0.2 6.5 ± 0.2
565 EN300-1241327_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCOCC5 −9.0 ± 0.2 6.5 ± 0.2
566 EN300-21258_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCO −9.0 ± 0.2 6.5 ± 0.2
567 EN300-21258_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCO −9.0 ± 0.3 6.5 ± 0.2
568 EN300-7375395_2 molecule CC[C@@H](C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.3 6.5 ± 0.2
569 EN300-185398_1 molecule CC(C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O −9.0 ± 0.2 6.5 ± 0.2
570 EN300-316216_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cncn5 −9.0 ± 0.3 6.5 ± 0.2
571 EN300-1715993_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5ccnn5 −9.0 ± 0.3 6.5 ± 0.2
572 EN300-633533_3 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −9.0 ± 0.5 6.5 ± 0.3
573 DAR-DIA-0d514e7d-15 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(ccc5F)F −9.0 ± 0.2 6.5 ± 0.2
574 EN300-1253122_2 molecule CCN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.0 ± 0.2 6.5 ± 0.1
575 EN300-1608992_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)(C#N)C(=O)N −9.0 ± 0.2 6.5 ± 0.2
576 EN300-22879_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCCCC5C(=O)N −8.9 ± 0.3 6.5 ± 0.2
577 EN300-52768_1 molecule CCCS(=O)(=O)C(C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.4 6.5 ± 0.3
578 EN300-1296824_1 molecule CC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(COC)O −8.9 ± 0.4 6.5 ± 0.3
579 EN300-332601_3 molecule CCC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −8.9 ± 0.3 6.5 ± 0.2
580 EN300-221518_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCCO −8.9 ± 0.1 6.51 ± 0.10
581 EN300-22879_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCCCC5C(=O)N −8.9 ± 0.3 6.5 ± 0.2
582 EN300-202922_1 molecule CC(C(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −8.9 ± 0.3 6.5 ± 0.2
583 EN300-97758_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCF −8.9 ± 0.2 6.5 ± 0.2
584 EN300-222145_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)N5 −8.9 ± 0.2 6.5 ± 0.2
585 PET-UNK-29afea89-2 molecule CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.1 6.49 ± 0.10
586 EDJ-MED-e4b030d8-13 molecule C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.91 ± 0.08 6.49 ± 0.06
587 EN300-17381_2 molecule CC(C(=O)N)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.1 6.49 ± 0.08
588 EN300-25572_1 molecule CC1CN(CCO1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.2 6.5 ± 0.1
589 EN300-248786_3 molecule CN(C)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.9 ± 0.4 6.5 ± 0.3
590 EN300-259062_1 molecule CNC(=O)CC1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.9 ± 0.3 6.5 ± 0.2
591 DAR-DIA-23e5a6a0-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(CC6)CN5)Cl −8.9 ± 0.3 6.5 ± 0.2
592 EN300-7089802_1 molecule C[C@@H]([C@@H](C)O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3 6.5 ± 0.2
593 EN300-1988306_2 molecule CS(=O)(=O)CCC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3 6.5 ± 0.2
594 EN300-6497863_3 molecule CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCN(C)C −8.9 ± 0.7 6.5 ± 0.5
595 EN300-19709_2 molecule CCC(CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.3 6.5 ± 0.2
596 EN300-17184_2 molecule C=CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.9 ± 0.2 6.5 ± 0.2
597 EN300-185378_2 molecule CC(COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.9 ± 0.2 6.5 ± 0.1
598 EN300-1706036_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5C(=O)NCCO5 −8.9 ± 0.3 6.5 ± 0.2
599 EN300-1600517_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(CO)F −8.9 ± 0.3 6.5 ± 0.2
600 EN300-305282_3 molecule COCC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −8.9 ± 0.4 6.5 ± 0.3
Last updated 2021-02-02T07:45:41.180273+00:00
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