Compounds

Showing 801 through 900 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
801 DAR-DIA-0d514e7d-19 molecule C[C@H]1COc2c(cc(cc2OC(C)(C)C)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2 6.0 ± 0.2
802 EN300-370967_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O −8.2 ± 0.2 6.0 ± 0.2
803 EN300-314088_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@@H](C5)CO)CO −8.2 ± 0.3 6.0 ± 0.2
804 EN300-23214_2 molecule CCCNC(=O)C(C)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.4 6.0 ± 0.3
805 EDJ-MED-28ec730d-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC5CCOCC5 −8.2 ± 0.2 6.0 ± 0.1
806 EN300-114134_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCCS5(=O)=O −8.2 ± 0.4 6.0 ± 0.3
807 EN300-04492_4 molecule COCCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5 6.0 ± 0.3
808 EN300-818706_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC6CC5C(=O)N6 −8.2 ± 0.3 6.0 ± 0.2
809 EN300-67533_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(C5CC5)O −8.2 ± 0.3 6.0 ± 0.2
810 EN300-13668_2 molecule CN(CC(=O)NC1CC1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3 6.0 ± 0.3
811 EN300-25791_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)C(=O)N −8.2 ± 0.3 6.0 ± 0.2
812 EN300-82539_1 molecule CCOC(=O)CC(CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.2 ± 0.2 6.0 ± 0.2
813 EN300-331993_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)Nc5[nH]ccn5 −8.2 ± 0.3 6.0 ± 0.2
814 EN300-28177_2 molecule CC(C(=O)N1CCCC(C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3 6.0 ± 0.2
815 EN300-1627945_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CCCOC5 −8.2 ± 0.2 6.0 ± 0.2
816 EN300-47657_2 molecule CC(C(=O)N(C)C)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
817 EN300-260603_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]c(=O)[nH]5 −8.2 ± 0.3 6.0 ± 0.2
818 EN300-45384_3 molecule CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCN(CC5)C −8.2 ± 0.6 6.0 ± 0.4
819 EN300-379020_1 molecule Cn1ccn2c(nnc2c1=O)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.2 ± 0.2 6.0 ± 0.2
820 DAR-DIA-6a508060-10 molecule CC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.1 5.98 ± 0.09
821 EN300-118760_3 molecule CC(C1CC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.2 ± 0.4 6.0 ± 0.3
822 EN300-6762327_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(Cc5ccccn5)O −8.2 ± 0.3 6.0 ± 0.2
823 EN300-66494_2 molecule CNC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
824 DAR-DIA-0d514e7d-21 molecule C[C@H]1COc2c(cc(cc2N3CCNCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3 6.0 ± 0.2
825 EN300-251396_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC(C5)(CO)O −8.2 ± 0.5 6.0 ± 0.3
826 EN300-317555_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5=NCCO5 −8.2 ± 0.3 6.0 ± 0.2
827 EN300-116092_2 molecule CCS(=O)(=O)NCCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.5 6.0 ± 0.3
828 EN300-322400_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F −8.2 ± 0.2 6.0 ± 0.2
829 EN300-1699871_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CCS(=O)(=O)N5 −8.2 ± 0.2 6.0 ± 0.2
830 EN300-65839_1 molecule CCC(C(=O)N)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.2 6.0 ± 0.2
831 EN300-71560_1 molecule COC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.2
832 EN300-226314_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)C5CCS(=O)(=O)C5 −8.2 ± 0.4 6.0 ± 0.3
833 EN300-1241327_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCOCC5 −8.2 ± 0.3 6.0 ± 0.2
834 EN300-20284_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCC(C5)O −8.2 ± 0.2 6.0 ± 0.2
835 EN300-6482967_4 molecule CNS(=O)(=O)CCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.4 6.0 ± 0.3
836 EN300-132624_2 molecule CCC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.2 ± 0.3 6.0 ± 0.3
837 DAR-DIA-0d514e7d-29 molecule C[C@@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −8.2 ± 0.2 5.9 ± 0.1
838 EN300-44149_3 molecule Cn1c2c(cn1)c(=O)[nH]c(n2)COCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.2 ± 0.4 5.9 ± 0.3
839 EN300-253443_3 molecule CCCN1CC(CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.2 ± 0.3 5.9 ± 0.2
840 EN300-333677_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]([C@@H](C5)CO)CO −8.2 ± 0.3 5.9 ± 0.2
841 EN300-26031_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5nnc6n5CCC6 −8.2 ± 0.3 5.9 ± 0.2
842 EN300-77885_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)C5CC5 −8.2 ± 0.3 5.9 ± 0.2
843 EN300-154201_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOCC5CO −8.2 ± 0.2 5.9 ± 0.2
844 EN300-129424_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCC5O −8.1 ± 0.3 5.9 ± 0.2
845 BEN-DND-c852c98b-5 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl −8.14 ± 0.09 5.93 ± 0.06
846 EN300-6255179_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cncn5 −8.1 ± 0.2 5.9 ± 0.1
847 DAR-DIA-0d514e7d-12 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F −8.1 ± 0.2 5.9 ± 0.2
848 EN300-24804_1 molecule COC(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3 5.9 ± 0.2
849 EN300-68794_1 molecule CS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.2 5.9 ± 0.1
850 EN300-185378_4 molecule CC(COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.1 ± 0.2 5.9 ± 0.2
851 DAR-DIA-23e5a6a0-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(N5)CC6)Cl −8.1 ± 0.2 5.9 ± 0.1
852 EN300-1212475_3 molecule CC1(CC(=O)NCC1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −8.1 ± 0.3 5.9 ± 0.2
853 EN300-266117_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)O −8.1 ± 0.3 5.9 ± 0.2
854 EN300-12247_2 molecule CC(C)(C)C(=O)NCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.4 5.9 ± 0.3
855 EN300-1265948_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCS(=O)(=O)CC5 −8.1 ± 0.3 5.9 ± 0.2
856 EN300-103187_1 molecule CCOCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3 5.9 ± 0.2
857 ALP-POS-696356e4-1 molecule c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl −8.12 ± 0.05 5.91 ± 0.04
858 EN300-135130_2 molecule CNC(=O)C(CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3 5.9 ± 0.2
859 EDJ-MED-e4b030d8-7 molecule COc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl −8.1 ± 0.1 5.9 ± 0.1
860 MAT-POS-8a69d52e-1 molecule CC1CC(c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −8.11 ± 0.06 5.90 ± 0.04
861 DAR-DIA-0d514e7d-17 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(cc(c5)F)F −8.1 ± 0.2 5.9 ± 0.2
862 DAR-DIA-0d514e7d-13 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5)F −8.1 ± 0.2 5.9 ± 0.2
863 EDJ-MED-e4b030d8-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl −8.1 ± 0.2 5.9 ± 0.1
864 EDJ-MED-e4b030d8-8 molecule Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl −8.10 ± 0.06 5.90 ± 0.05
865 EN300-23318_1 molecule CC(C(=O)NC1CCS(=O)(=O)C1)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.3 5.9 ± 0.2
866 EN300-760963_2 molecule CC(C)[C@@H](C(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.3 5.9 ± 0.2
867 DAR-DIA-6a508060-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)C#N −8.09 ± 0.06 5.89 ± 0.04
868 EN300-02015_2 molecule COCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.1 ± 0.4 5.9 ± 0.3
869 EN300-263153_4 molecule Cn1cc(nn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.3 5.9 ± 0.2
870 EN300-6501360_1 molecule CN(C)C(=O)NCC(CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.1 ± 0.4 5.9 ± 0.3
871 EN300-7456499_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCS(=O)(=O)CCCO −8.1 ± 0.6 5.9 ± 0.4
872 EN300-252961_2 molecule COCC1CC(CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −8.1 ± 0.3 5.9 ± 0.2
873 EN300-37195_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CCCCNC5=O −8.1 ± 0.3 5.9 ± 0.2
874 EN300-6277108_2 molecule COC(C1CCCO1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.1 ± 0.4 5.9 ± 0.3
875 EN300-315725_3 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −8.1 ± 0.5 5.9 ± 0.4
876 DAR-DIA-6a508060-4 molecule COc1cc(cc2c1OCCC2C(=O)Nc3cncc4c3cccc4)Cl −8.1 ± 0.1 5.87 ± 0.07
877 EN300-633533_4 molecule CS(=O)(=O)[C@@H]1C[C@]1(COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −8.0 ± 0.3 5.9 ± 0.2
878 EN300-25572_2 molecule CC1CN(CCO1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.3 5.9 ± 0.2
879 EN300-45485_4 molecule CS(=O)(=O)NCCCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.4 5.9 ± 0.3
880 EN300-109920_2 molecule CC1COC(CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.0 ± 0.3 5.8 ± 0.3
881 EN300-31102_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCN(CC5)S(=O)(=O)N −8.0 ± 0.4 5.8 ± 0.3
882 EN300-28177_1 molecule CC(C(=O)N1CCCC(C1)C(=O)N)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.2 5.8 ± 0.2
883 BEN-DND-c852c98b-2 molecule c1cc2cncc(c2cc1OC(F)(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −8.01 ± 0.08 5.83 ± 0.06
884 ADA-UCB-dc2b944c-11 molecule c1ccc2c(c1)c(cnc2Br)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −8.0 ± 0.1 5.83 ± 0.08
885 EN300-1073068_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC(=O)NC5 −8.0 ± 0.3 5.8 ± 0.2
886 EN300-268198_2 molecule CC(CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −8.0 ± 0.4 5.8 ± 0.3
887 EN300-173006_4 molecule CC(c1nnnn1C)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.5 5.8 ± 0.3
888 EN300-221518_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCO −8.0 ± 0.2 5.8 ± 0.2
889 EN300-305294_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6CC(C6C5)O −8.0 ± 0.3 5.8 ± 0.2
890 EN300-174603_2 molecule CN(C(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −8.0 ± 0.3 5.8 ± 0.2
891 EN300-172782_2 molecule CC1C(=O)NCCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.3 5.8 ± 0.2
892 EN300-248521_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C(C5)O)CO −8.0 ± 0.2 5.8 ± 0.1
893 MAT-POS-8a69d52e-7 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −7.97 ± 0.08 5.80 ± 0.06
894 EN300-266552_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)c6[nH]cnn6 −8.0 ± 0.3 5.8 ± 0.2
895 EN300-299806_1 molecule COC1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO −8.0 ± 0.4 5.8 ± 0.3
896 EN300-1238839_2 molecule CS(=O)(=O)NCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.2 5.8 ± 0.1
897 JAG-UCB-706446eb-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccn[nH]5 −8.0 ± 0.2 5.8 ± 0.2
898 EN300-73662_2 molecule COC(=O)C[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −8.0 ± 0.3 5.8 ± 0.3
899 EN300-10170_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C(CO)NC(=O)N −8.0 ± 0.3 5.8 ± 0.2
900 EN300-321161_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOCC5 −8.0 ± 0.4 5.8 ± 0.3
Last updated 2021-02-01T19:17:43.061548+00:00
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