Compounds

Showing 901 through 1000 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
901 RAL-THA-8416115c-10 molecule CNC(=O)CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.2 5.5 ± 0.1
902 JOH-SUS-a69c159d-3 molecule c1ccc2c(c1)c(cnc2C(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.5 ± 0.2 5.5 ± 0.1
903 PET-UNK-7a31b064-1 molecule CN1C[C@H](C(=O)N(C1=O)c2cncc3c2cccc3)c4cccc(c4)Cl −7.5 ± 0.1 5.5 ± 0.1
904 ED_-GRI-5b13fbe2-6 molecule CN(C)CC(=O)NC[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.5 ± 0.2 5.5 ± 0.2
905 DAR-DIA-0587064e-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCCC(F)(F)F −7.5 ± 0.2 5.5 ± 0.1
906 EDJ-MED-f893e2a1-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC[C@]5(CCOC5)C#N −7.5 ± 0.1 5.5 ± 0.1
907 ALP-UNI-8e43a71e-4 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(C5=O)c6ccn[nH]6 −7.49 ± 0.06 5.45 ± 0.05
908 EDG-MED-90036822-61 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCC5 −7.5 ± 0.3 5.5 ± 0.2
909 MAT-POS-2492181e-11 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −7.5 ± 0.2 5.5 ± 0.2
910 ED_-GRI-5b13fbe2-66 molecule CN1CCOC(C1)c2ncc(cn2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.5 ± 0.3 5.5 ± 0.2
911 MIC-UNK-ea4eb352-11 molecule COC1(CCNc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.2 5.4 ± 0.2
912 PET-UNK-a692de38-1 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)NC#N −7.5 ± 0.3 5.4 ± 0.2
913 WIL-UCB-7ba4ac3a-2 molecule CN(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.5 ± 0.2 5.4 ± 0.2
914 MAT-POS-54c4bf04-3 molecule c1ccc2c(c1)cncc2C(=O)N3CCN(CC3)c4cccc(c4)Cl −7.48 ± 0.09 5.45 ± 0.06
915 PET-UNK-5ecb6237-1 molecule c1ccc2c(c1)cncc2N(C#N)C(=O)Cc3cccc(c3)Cl −7.5 ± 0.6 5.4 ± 0.5
916 MAT-POS-1f3f1a6f-4 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)NCC4CC4 −7.47 ± 0.10 5.44 ± 0.07
917 MAT-POS-9db1e783-2 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CO −7.47 ± 0.07 5.44 ± 0.05
918 RAL-THA-05e671eb-34 molecule Cc1cccc2c1C(CCO2)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.4 5.4 ± 0.3
919 ED_-GRI-5b13fbe2-25 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCNCCOCCO −7.5 ± 0.3 5.4 ± 0.2
920 MAK-UNK-c749d764-5 molecule c1ccc2c(c1)cncc2N(CO)C(=O)CC3CCCC(C3O)C(F)F −7.5 ± 0.3 5.4 ± 0.2
921 RAL-THA-e002e396-11 molecule COCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.1 5.44 ± 0.08
922 VLA-UCB-1dbca3b4-14 molecule CC1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −7.5 ± 0.2 5.4 ± 0.2
923 LON-WEI-9739a092-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Nc4ccc(cn4)C(F)(F)F −7.46 ± 0.09 5.43 ± 0.06
924 DAR-DIA-0f7b7cd9-5 molecule c1ccc2c(c1)cncc2N3CC(=O)N(C3=O)Cc4cccc(c4)Cl −7.5 ± 0.2 5.4 ± 0.2
925 FRA-DIA-6238d354-2 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C −7.5 ± 0.3 5.4 ± 0.2
926 CHO-MSK-5891c1ff-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOCC5=O −7.5 ± 0.4 5.4 ± 0.3
927 EDJ-MED-e4b030d8-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C5COC5)Cl −7.5 ± 0.4 5.4 ± 0.3
928 VLA-UNK-9a7dc93f-4 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4F)F)C#N −7.5 ± 0.1 5.43 ± 0.10
929 KAD-UNI-877d7bed-12 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCCC5C(=O)NC(=O)N5)Cl −7.45 ± 0.09 5.43 ± 0.07
930 PET-UNK-689df078-4 molecule CN1CC(=O)N(C(=O)[C@@H]1c2cccc(c2)Cl)c3cncc4c3cccc4 −7.4 ± 0.1 5.42 ± 0.09
931 PAU-WEI-df8f33bc-1 molecule CC(C)(C)c1ccc(cc1)N([C@@H](c2cncc3c2cccc3)C(=O)NCCc4cccc(c4)F)C(=O)c5ccco5 −7.4 ± 0.3 5.4 ± 0.2
932 EDJ-MED-fcba3f31-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCCNC5=O −7.4 ± 0.3 5.4 ± 0.2
933 NAU-LAT-356bd3c2-7 molecule c1ccc2c(c1)cncc2OC(=O)c3cccc4c3cc[nH]4 −7.4 ± 0.1 5.42 ± 0.09
934 PET-UNK-1b92fa34-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CS(=O)(=O)Cc4c3cc(cc4)Cl −7.4 ± 0.2 5.4 ± 0.1
935 MAT-POS-afd4d4fd-1 molecule Cc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 −7.4 ± 0.3 5.4 ± 0.2
936 VLA-UNK-f702bf1c-2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)Cc6cc[nH]n6 −7.4 ± 0.3 5.4 ± 0.2
937 VLA-UNK-ba665ac8-2 molecule CN1CC(=O)N(C(=O)[C@@]12CCOc3c2cc(cc3)Cl)c4cncc5c4cccc5 −7.4 ± 0.1 5.42 ± 0.10
938 PET-UNK-55f647aa-2 molecule CN(C)c1ccc(cn1)N(Cc2ccsc2)C(=O)Cc3cncc4c3cccc4 −7.4 ± 0.3 5.4 ± 0.2
939 ALP-POS-6d96567b-2 molecule c1ccc2c(c1)cncc2N(Cc3c[nH]c(=O)[nH]c3=O)C(=O)C4CCOc5c4ccc(c5)Cl −7.4 ± 0.2 5.4 ± 0.1
940 EDG-MED-ba1ac7b9-21 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5Cn6ccnc6 −7.43 ± 0.07 5.41 ± 0.05
941 RAL-THA-8416115c-1 molecule c1ccc(cc1)CN2CCC(c3c2ccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 −7.43 ± 0.07 5.41 ± 0.05
942 RAL-THA-8416115c-8 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)CC(=O)N −7.4 ± 0.2 5.4 ± 0.2
943 MAT-POS-8293a91a-6 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@H](O4)C(=O)N5CCCC5 −7.4 ± 0.3 5.4 ± 0.2
944 MAT-POS-91829f0d-1 molecule COc1ccccc1OCCNC(=O)c2cncc3c2cccc3 −7.4 ± 0.4 5.4 ± 0.3
945 MAT-POS-4223bc15-8 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)C5CCOC5 −7.42 ± 0.04 5.41 ± 0.03
946 VLA-UNK-f49ebb87-1 molecule c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4NC(=O)O3)Cl −7.4 ± 0.1 5.4 ± 0.1
947 VLA-UNK-c65c1026-1 molecule c1ccc2c(c1)cncc2N3CCCC4(C3=O)COc5c4cc(cc5)Cl −7.4 ± 0.2 5.4 ± 0.2
948 EDJ-MED-40433386-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)CO −7.4 ± 0.2 5.4 ± 0.2
949 EDG-MED-90036822-91 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5cccc(c5)F)N −7.4 ± 0.4 5.4 ± 0.3
950 ALP-UNI-b33a865d-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −7.41 ± 0.07 5.40 ± 0.05
951 KAD-UNI-8a629cb0-17 molecule CN(C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −7.4 ± 0.4 5.4 ± 0.3
952 LON-WEI-5e7d1b3e-52 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −7.4 ± 0.3 5.4 ± 0.2
953 MAT-POS-fce787c2-4 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)O −7.41 ± 0.10 5.40 ± 0.07
954 MAT-POS-4223bc15-38 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)C(=O)c5ncco5 −7.41 ± 0.07 5.40 ± 0.05
955 ALF-EVA-ced740bd-1 molecule COc1c(ccc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)Cl)Cl −7.40 ± 0.09 5.39 ± 0.07
956 BEN-BAS-5c03e89e-2 molecule CC(C)(C1C=Nc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl)O −7.4 ± 0.3 5.4 ± 0.2
957 BEN-DND-a02b439d-14 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNCc4c3cc(c(c4)Cl)Cl −7.4 ± 0.1 5.39 ± 0.07
958 EDJ-MED-f893e2a1-7 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5c[nH]c(=O)o5 −7.4 ± 0.1 5.39 ± 0.10
959 KAD-UNI-8a629cb0-13 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCN(C5=O)C6CC6 −7.4 ± 0.3 5.4 ± 0.2
960 EDJ-MED-12f7f543-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cn4)Cl −7.4 ± 0.3 5.4 ± 0.2
961 FRA-DIA-b66f7109-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cc(cc4Cl)OC5CC(=O)N5 −7.4 ± 0.3 5.4 ± 0.2
962 MAT-POS-96f51285-4 molecule CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(c(c4)F)Cl −7.39 ± 0.08 5.39 ± 0.06
963 NAU-LAT-2fed8305-6 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(s3)Cl −7.4 ± 0.4 5.4 ± 0.3
964 EDJ-MED-00c1612e-1 molecule COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl −7.38 ± 0.07 5.38 ± 0.05
965 JOH-UNI-6e27fddc-7 molecule Cc1cccc2c1c(cnc2)NC(=S)[C@@]3(CCOc4c3cc(cc4)Cl)OC −7.4 ± 0.4 5.4 ± 0.3
966 MAT-POS-9ff17035-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cccnc4 −7.38 ± 0.07 5.38 ± 0.05
967 DAR-DIA-0d514e7d-12 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F −7.4 ± 0.3 5.4 ± 0.2
968 LEE-CAM-7ab9b158-3 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5[nH]ccn5 −7.38 ± 0.07 5.37 ± 0.05
969 BEN-DND-f2e727cd-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl −7.38 ± 0.09 5.37 ± 0.07
970 EDJ-MED-e4b030d8-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3nc(cc4)Cl −7.4 ± 0.4 5.4 ± 0.3
971 ALP-POS-5bb456a5-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 −7.37 ± 0.10 5.37 ± 0.07
972 JAG-UCB-f37eaa14-9 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(c5c4cc(cc5)Cl)C6CC(=O)C6 −7.4 ± 0.2 5.4 ± 0.1
973 ALP-UNI-0676e700-4 molecule Cc1nc(on1)COCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.4 ± 0.3 5.4 ± 0.2
974 JAG-UCB-f37eaa14-8 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(c5c4cc(cc5)Cl)CCn6ccnc6 −7.4 ± 0.2 5.4 ± 0.1
975 ED_-GRI-5b13fbe2-24 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC6CNC6 −7.4 ± 0.4 5.4 ± 0.3
976 EDJ-MED-93390d0c-4 molecule CO[C@@]1(CCOc2c1cc(c(c2)F)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −7.4 ± 0.2 5.4 ± 0.2
977 ALP-UNI-3496895b-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)Cc6n[nH]nn6 −7.4 ± 0.5 5.4 ± 0.3
978 EDG-MED-971238d3-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)O −7.4 ± 0.3 5.4 ± 0.2
979 MAT-POS-a5ef2d74-2 molecule COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)F −7.36 ± 0.07 5.36 ± 0.05
980 EDJ-MED-f893e2a1-6 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCC5CC(=O)NC5 −7.3 ± 0.1 5.35 ± 0.08
981 LON-WEI-5e7d1b3e-21 molecule Cc1cccnc1NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −7.3 ± 0.7 5.4 ± 0.5
982 EDJ-MED-e4b030d8-8 molecule Cc1c(ccc2c1[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl −7.35 ± 0.10 5.35 ± 0.07
983 ALP-POS-fe871b40-4 molecule COC1(CCNc2c1cc(cc2C#N)Cl)C(=O)Nc3cncc4c3cccc4 −7.3 ± 0.3 5.4 ± 0.2
984 MAT-POS-5369c344-5 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4OCc5ccccn5)Cl −7.34 ± 0.06 5.35 ± 0.04
985 EDJ-MED-ee07cf00-1 molecule Cn1c(=O)ccn(c1=O)CC(=O)NC(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.34 ± 0.08 5.35 ± 0.06
986 ALP-POS-ce760d3f-7 molecule c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl −7.3 ± 0.2 5.3 ± 0.2
987 EDJ-MED-009f762b-4 molecule Cc1[nH]cc(n1)CN2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.3 ± 0.1 5.35 ± 0.09
988 PET-UNK-3c72d439-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccn3)Cl −7.34 ± 0.09 5.35 ± 0.07
989 MAT-POS-e9e99895-12 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CCN(C)C −7.3 ± 0.4 5.3 ± 0.3
990 MIC-UNK-9582b2c5-3 molecule CC(=O)N1CCC2C(C1)CN(C(=O)N2c3cccc(c3)Cl)c4cncc5c4cccc5 −7.3 ± 0.2 5.3 ± 0.1
991 EDG-MED-70ae9412-1 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −7.33 ± 0.07 5.34 ± 0.05
992 KAD-UNI-cb0f2bbc-10 molecule CC(C)(C)OC(=O)NC(CCO)CNC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.33 ± 0.10 5.34 ± 0.07
993 LON-WEI-9739a092-5 molecule Cc1ccc2c(c1)sc(n2)Nc3cc(cc(c3)Cl)CC(=O)Nc4cncc5c4cccc5 −7.33 ± 0.09 5.34 ± 0.06
994 MAT-POS-fb82b63d-4 molecule c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4CCN3CC5CC5)Cl −7.3 ± 0.1 5.3 ± 0.1
995 LAU-MED-88a3970a-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OCCCO)Cl −7.3 ± 0.2 5.3 ± 0.1
996 EDG-MED-5d232de5-7 molecule c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c4)Cl −7.33 ± 0.09 5.34 ± 0.07
997 DAR-DIA-2964957d-9 molecule CN(c1cccc(c1)Cl)c2c(c(=O)c2=O)Nc3cncc4c3cccc4 −7.3 ± 0.3 5.3 ± 0.2
998 MAT-POS-24589f88-13 molecule CNS(=O)(=O)c1cc(ccc1F)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.32 ± 0.09 5.34 ± 0.06
999 EDG-MED-90036822-49 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnc[nH]5 −7.3 ± 0.4 5.3 ± 0.3
1000 EDJ-MED-e4b030d8-1 molecule C[C@@]1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −7.3 ± 0.3 5.3 ± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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