Compounds

Showing 701 through 800 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
701 EN300-1706036_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5C(=O)NCCO5 −8.5 ± 0.2 6.2 ± 0.2
702 EN300-3451857_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCC(=O)NC5=O −8.5 ± 0.2 6.2 ± 0.1
703 EN300-41473_3 molecule CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOCC5 −8.5 ± 0.4 6.2 ± 0.3
704 EN300-184266_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 −8.5 ± 0.2 6.2 ± 0.2
705 EN300-44149_1 molecule Cn1c2c(cn1)c(=O)[nH]c(n2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.5 ± 0.3 6.2 ± 0.2
706 DAR-DIA-0d514e7d-14 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cccc(c5F)F −8.5 ± 0.3 6.2 ± 0.2
707 EN300-254121_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(c5cnc[nH]5)O −8.5 ± 0.6 6.2 ± 0.4
708 EN300-04492_2 molecule COCCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.3 6.2 ± 0.2
709 EN300-36851_1 molecule CC1CC1C(=O)NCCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.2 6.2 ± 0.1
710 EN300-85849_2 molecule CC(C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −8.5 ± 0.4 6.2 ± 0.3
711 EN300-393148_4 molecule CN1C(CCS1(=O)=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.3 6.2 ± 0.2
712 EN300-1253178_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CC5 −8.5 ± 0.2 6.2 ± 0.1
713 EN300-260816_4 molecule CN1CCC(C1=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.3 6.2 ± 0.2
714 EN300-183231_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCc5[nH]nnn5 −8.5 ± 0.4 6.2 ± 0.3
715 EN300-174603_4 molecule CN(C(=O)CCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −8.5 ± 0.3 6.2 ± 0.2
716 EN300-131093_4 molecule CC(C(=O)NCC(=O)C)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.3 6.2 ± 0.2
717 EN300-1724086_2 molecule CC1CC(CN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.5 ± 0.2 6.2 ± 0.1
718 EN300-18074_1 molecule CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.2 6.2 ± 0.1
719 EN300-48760_3 molecule CC(C)(C)NC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.5 6.2 ± 0.3
720 EN300-1708620_1 molecule CN(C)CCSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.3 6.2 ± 0.2
721 EN300-1273362_4 molecule CC1(CN(C1=O)C)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.5 6.2 ± 0.3
722 EN300-218116_4 molecule CC(CO)(CO)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.4 6.2 ± 0.3
723 EN300-05754_4 molecule CC(C(=O)N1CCOCC1)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.4 6.2 ± 0.3
724 EN300-649743_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)Cn5cnnn5 −8.5 ± 0.4 6.2 ± 0.3
725 EN300-75819_1 molecule CCN(CC)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.4 6.2 ± 0.3
726 EN300-705381_1 molecule COC[C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.3 6.2 ± 0.2
727 EN300-6478054_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC(C5)CO −8.5 ± 0.4 6.2 ± 0.3
728 EN300-2723070_1 molecule CN(C)C1COCC1O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.5 ± 0.3 6.2 ± 0.2
729 EN300-14458_4 molecule CC(C(=O)N(C)C)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.5 ± 0.3 6.2 ± 0.2
730 EN300-343103_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]c(=O)c6c(n5)CCOC6 −8.4 ± 0.6 6.2 ± 0.4
731 EN300-113112_4 molecule Cn1cnnc1COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.4 6.2 ± 0.3
732 ALP-POS-d3acb8cc-4 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.45 ± 0.06 6.15 ± 0.04
733 EN300-38979_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccnc5 −8.4 ± 0.2 6.2 ± 0.1
734 EN300-28106_2 molecule CC(C(=O)N1CCN(CC1)C(=O)C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.4 6.2 ± 0.3
735 EN300-102347_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5(COC5)CO −8.4 ± 0.4 6.2 ± 0.3
736 EN300-73582_1 molecule CCS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.4 6.1 ± 0.3
737 EN300-125409_2 molecule CC(C(=O)N)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.3 6.1 ± 0.2
738 DAR-DIA-23e5a6a0-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CCC6(N5)CCC6)Cl −8.4 ± 0.2 6.1 ± 0.2
739 EN300-7444106_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCc6nnnn6C5 −8.4 ± 0.2 6.1 ± 0.2
740 EN300-102007_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC(C5)CCO −8.4 ± 0.4 6.1 ± 0.3
741 EN300-1387145_2 molecule CS(=O)(=O)C1CCCC1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.2 6.1 ± 0.2
742 EN300-1915260_1 molecule COCC(CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.4 ± 0.3 6.1 ± 0.2
743 EN300-270710_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)N −8.4 ± 0.4 6.1 ± 0.3
744 EN300-114134_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCCS5(=O)=O −8.4 ± 0.3 6.1 ± 0.2
745 EN300-211482_2 molecule CC(C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.2 6.1 ± 0.1
746 EN300-139167_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5COCCO5 −8.4 ± 0.2 6.1 ± 0.2
747 EN300-68882_2 molecule CC1(C(=O)NCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −8.4 ± 0.3 6.1 ± 0.3
748 EN300-173903_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CO −8.4 ± 0.3 6.1 ± 0.2
749 MAT-POS-8a69d52e-4 molecule CC1COc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl −8.41 ± 0.07 6.13 ± 0.05
750 EN300-02067_1 molecule CC(COC)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.2 6.1 ± 0.2
751 EN300-183231_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCc5[nH]nnn5 −8.4 ± 0.6 6.1 ± 0.4
752 DAR-DIA-5ff57136-9 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.4 ± 0.3 6.1 ± 0.2
753 DAR-DIA-0d514e7d-26 molecule C[C@@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.2 6.1 ± 0.1
754 EN300-246248_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CCNC5=O −8.4 ± 0.5 6.1 ± 0.3
755 EN300-102988_1 molecule CCOC(=O)C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.4 ± 0.3 6.1 ± 0.2
756 EN300-7003350_4 molecule CCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.2 6.1 ± 0.1
757 EN300-65839_2 molecule CCC(C(=O)N)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.3 6.1 ± 0.2
758 DAR-DIA-0d514e7d-27 molecule C[C@@]1(c2cc(cc(c2OCC1(C)C)OC)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.2 6.1 ± 0.1
759 EN300-96001_2 molecule CC(C)(C)[C@@H](C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.4 6.1 ± 0.3
760 EN300-23129_1 molecule CC(=O)NCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.3 6.1 ± 0.2
761 EN300-47657_1 molecule CC(C(=O)N(C)C)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.4 ± 0.3 6.1 ± 0.2
762 EN300-6970573_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(COC5)CF −8.4 ± 0.3 6.1 ± 0.2
763 EN300-97904_1 molecule CS(=O)(=O)CC1(CC1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.3 6.1 ± 0.2
764 ADA-UCB-dc2b944c-12 molecule Cc1c2ccccc2c(cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.36 ± 0.09 6.09 ± 0.06
765 EN300-342462_1 molecule CN1CCC(CC1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.4 ± 0.4 6.1 ± 0.3
766 EN300-1703718_3 molecule CC(=O)N1C[C@@H](C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.4 ± 0.3 6.1 ± 0.2
767 EN300-66082_2 molecule CC(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCC5 −8.3 ± 0.4 6.1 ± 0.3
768 EN300-48760_2 molecule CC(C)(C)NC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.4 6.1 ± 0.3
769 EN300-16216_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)N −8.3 ± 0.2 6.1 ± 0.2
770 EN300-86732_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)C5CCCO5 −8.3 ± 0.4 6.1 ± 0.3
771 EN300-6491697_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5cccc(=O)[nH]5 −8.3 ± 0.3 6.1 ± 0.2
772 MAT-POS-b3e365b9-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.33 ± 0.04 6.07 ± 0.03
773 EN300-210084_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCCC(=O)N5 −8.3 ± 0.3 6.1 ± 0.2
774 MAK-UNK-8be7dca9-2 molecule c1cc2c(cc1CC(=O)N)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −8.32 ± 0.08 6.06 ± 0.06
775 EN300-1724771_1 molecule CC(=O)N1CCN(CC1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.3 6.1 ± 0.2
776 DAR-DIA-23e5a6a0-7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(N5)CCC6)Cl −8.3 ± 0.3 6.1 ± 0.2
777 EN300-6493742_1 molecule CN(C)C1(CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.3 ± 0.5 6.1 ± 0.3
778 EN300-22880_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCCC(C5)C(=O)N −8.3 ± 0.3 6.1 ± 0.2
779 EN300-20496_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5CCOC5=O −8.3 ± 0.4 6.1 ± 0.3
780 EN300-1932013_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(CC(F)(F)F)O −8.3 ± 0.5 6.1 ± 0.3
781 EN300-117414_2 molecule CC(CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.3 6.1 ± 0.2
782 EN300-23318_2 molecule CC(C(=O)NC1CCS(=O)(=O)C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.3 6.1 ± 0.3
783 EN300-35592_2 molecule Cn1cc(cc1C(=O)N)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.5 6.1 ± 0.3
784 EN300-204935_4 molecule Cn1ncc(n1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.3 ± 0.3 6.1 ± 0.2
785 EN300-7003350_2 molecule CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.1 6.05 ± 0.09
786 EN300-02067_4 molecule CC(COC)NC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.3 6.0 ± 0.2
787 EN300-175186_1 molecule CC(CO)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.2 6.0 ± 0.2
788 EN300-179091_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC(F)F −8.3 ± 0.2 6.0 ± 0.1
789 EN300-378343_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC=CC5CO −8.3 ± 0.2 6.0 ± 0.1
790 EN300-7500524_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@@H](C5)COC(=O)N6 −8.3 ± 0.3 6.0 ± 0.2
791 EN300-30572_1 molecule CS(=O)(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.3 ± 0.4 6.0 ± 0.3
792 EN300-77092_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5OCCO5 −8.3 ± 0.3 6.0 ± 0.2
793 EN300-1699871_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CCS(=O)(=O)N5 −8.3 ± 0.2 6.0 ± 0.2
794 EN300-132523_1 molecule CN(CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −8.3 ± 0.4 6.0 ± 0.3
795 EN300-7433071_1 molecule CN(C)C1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −8.3 ± 0.6 6.0 ± 0.5
796 BEN-DND-c852c98b-6 molecule c1cc2cncc(c2cc1OC(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −8.26 ± 0.08 6.02 ± 0.06
797 EN300-101373_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC(C5)CO −8.3 ± 0.3 6.0 ± 0.2
798 EN300-36850_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)C5CC5 −8.3 ± 0.3 6.0 ± 0.2
799 EN300-23317_3 molecule CC(C(=O)NCCOC)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5 6.0 ± 0.3
800 EN300-05277_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCC(=O)N5CCOCC5 −8.2 ± 0.4 6.0 ± 0.3
Last updated 2021-02-02T07:45:41.180273+00:00
Generated by fah-xchem version 0.1.0+76.g1a4d290.dirty