Compounds

Showing 5901 through 6000 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
5901 EN300-117756_2_1 molecule CCCCS(=O)(=O)NCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −5.8 ± 0.3 4.2 ± 0.2
5902 EN300-61636_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)C(=O)NC6CC6 −5.8 ± 0.2 4.2 ± 0.2
5903 KAD-UNI-8a629cb0-9 molecule C[C@@H](C(=O)N1CCN(CC1)C(=O)C)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.8 ± 0.4 4.2 ± 0.3
5904 EN300-237952_2_1 molecule CCN1C[C@@H](CC1=O)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.8 ± 0.3 4.2 ± 0.2
5905 LON-WEI-4d77710c-57 molecule CC(C)OCCCN(Cc1ccco1)C(=O)Nc2cn(c(=O)c3c2cccc3)C −5.8 ± 0.5 4.2 ± 0.4
5906 LON-WEI-4d77710c-9 molecule Cc1cc(no1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −5.8 ± 0.4 4.2 ± 0.3
5907 MIC-UNK-5a93dd5f-11 molecule c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)N4CCC(CC4)N5CCCCC5 −5.8 ± 0.5 4.2 ± 0.4
5908 LON-WEI-5e7d1b3e-36 molecule Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −5.8 ± 0.5 4.2 ± 0.3
5909 MIC-UNK-5a93dd5f-4 molecule CC(=O)NC1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.8 ± 0.3 4.2 ± 0.2
5910 EN300-366050_2_2 molecule CC[C@H](Cn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −5.8 ± 0.2 4.2 ± 0.2
5911 EN300-7433864_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH]c(=O)n(c5=O)C6CC6 −5.7 ± 0.3 4.2 ± 0.2
5912 EN300-52768_2_2 molecule CCCS(=O)(=O)[C@H](C)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −5.7 ± 0.2 4.2 ± 0.2
5913 EN300-251867_2_1 molecule COCCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.7 ± 0.2 4.2 ± 0.2
5914 EN300-263392_2_1 molecule CS(=O)(=O)Cc1nc(co1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.7 ± 0.2 4.2 ± 0.2
5915 MAT-POS-43c25e9b-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CC(=O)Nc4c3cc(cc4)Cl −5.7 ± 0.3 4.2 ± 0.2
5916 MAK-UNK-f481d203-3 molecule c1ccc(cc1)[C@H](C(=O)Nc2cncc3c2cccc3)N −5.7 ± 0.3 4.2 ± 0.2
5917 EN300-1587757_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCNS5(=O)=O −5.7 ± 0.2 4.2 ± 0.2
5918 ALP-POS-5bb456a5-5 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)c6n[nH]nn6 −5.7 ± 0.4 4.2 ± 0.3
5919 MAT-POS-9db1e783-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)O −5.7 ± 0.3 4.1 ± 0.2
5920 ALP-POS-5bb456a5-10 molecule CCNC(=O)CN1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.7 ± 0.4 4.1 ± 0.3
5921 EN300-220228_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O −5.7 ± 0.2 4.1 ± 0.2
5922 MAR-UCB-f313ec4d-3 molecule COc1ccccc1OCCC(=O)Nc2cncc3c2cccc3 −5.67 ± 0.10 4.13 ± 0.07
5923 EN300-223491_2_1 molecule Cn1cnn(c1=O)CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.7 ± 0.3 4.1 ± 0.2
5924 MAK-UNK-919546f0-2 molecule c1ccc(cc1)C(C(=O)Nc2cncc3c2cccc3)N −5.7 ± 0.2 4.1 ± 0.2
5925 LON-WEI-5e7d1b3e-51 molecule Cc1c(c(on1)C)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −5.6 ± 0.6 4.1 ± 0.4
5926 MIC-UNK-5a93dd5f-8 molecule CN(C)C1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.6 ± 0.6 4.1 ± 0.5
5927 LON-WEI-5e7d1b3e-40 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCC3=CCCCC3 −5.6 ± 0.5 4.1 ± 0.4
5928 EN300-299532_2_1 molecule CC(C)([C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −5.6 ± 0.2 4.1 ± 0.1
5929 EN300-717276_2_1 molecule CCn1cc(nn1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.6 ± 0.2 4.1 ± 0.1
5930 LON-WEI-4d77710c-38 molecule CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 −5.6 ± 0.6 4.1 ± 0.4
5931 EN300-116092_2_1 molecule CCS(=O)(=O)NCCCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −5.6 ± 0.4 4.1 ± 0.3
5932 JOH-UNI-3fc3434e-5 molecule CN(c1cncc2c1c(ccc2)C(=O)C#C)C(=O)Cc3cccc(c3)Cl −5.6 ± 0.3 4.1 ± 0.2
5933 LON-WEI-5e7d1b3e-31 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3 −5.6 ± 0.3 4.1 ± 0.2
5934 EN300-6729572_2_6 molecule C[C@H]([C@@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −5.6 ± 0.2 4.1 ± 0.1
5935 EDJ-MED-92e193ae-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCNc4c3cc(cc4)Cl −5.6 ± 0.3 4.1 ± 0.2
5936 JOH-UNI-ee5ed7c8-13 molecule CN(c1cncc2c1c(ccc2)CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −5.6 ± 0.4 4.1 ± 0.3
5937 DAR-DIA-076fb6ea-11 molecule CN(C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −5.5 ± 0.4 4.0 ± 0.3
5938 EN300-181492_2_1 molecule C=C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −5.5 ± 0.2 4.0 ± 0.1
5939 LON-WEI-4d77710c-55 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccc4c(c3)OCO4 −5.5 ± 0.5 4.0 ± 0.3
5940 MAT-POS-2492181e-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −5.5 ± 0.5 4.0 ± 0.3
5941 EN300-805037_2_1 molecule Cn1c2cc(c(=O)[nH]c2cn1)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −5.5 ± 0.4 4.0 ± 0.3
5942 LON-WEI-4d77710c-39 molecule CC(CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −5.50 ± 0.09 4.01 ± 0.06
5943 LON-WEI-4d77710c-23 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccc(c3)C(F)(F)F −5.5 ± 0.4 4.0 ± 0.3
5944 MAT-POS-8e4737f4-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3Cc4cc(ccc4OC3)Cl −5.5 ± 0.3 4.0 ± 0.2
5945 EN300-255791_2_1 molecule C[NH+](C)CCn1ccc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.5 ± 0.3 4.0 ± 0.2
5946 MAK-UNK-8be7dca9-6_2 molecule c1cc(c2cncc(c2c1)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl)C[NH3+] −5.5 ± 0.3 4.0 ± 0.2
5947 JOH-UNI-3fc3434e-13 molecule CN(c1cncc2c1c(ccc2)CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −5.5 ± 0.4 4.0 ± 0.3
5948 EN300-300217_2_2 molecule C/C=C/[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −5.5 ± 0.2 4.0 ± 0.1
5949 JOH-UNI-6fede743-4 molecule c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)O −5.5 ± 0.2 4.0 ± 0.2
5950 DAR-DIA-56cf811e-3 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/C#N −5.5 ± 0.4 4.0 ± 0.3
5951 EN300-64536_2_1 molecule COCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −5.4 ± 0.1 4.0 ± 0.1
5952 LON-WEI-4d77710c-21 molecule Cc1cccnc1NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −5.4 ± 0.6 4.0 ± 0.5
5953 LON-WEI-5e7d1b3e-52 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −5.4 ± 0.5 4.0 ± 0.4
5954 EN300-59285_2_1 molecule CC(C)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −5.4 ± 0.1 3.9 ± 0.1
5955 LON-WEI-5e7d1b3e-28 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −5.4 ± 0.5 3.9 ± 0.4
5956 LON-WEI-4d77710c-50 molecule CCCCN(CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3 −5.4 ± 0.5 3.9 ± 0.4
5957 EN300-141628_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccnc(c5)S(=O)(=O)N −5.4 ± 0.2 3.9 ± 0.2
5958 MAT-POS-b5746674-38 molecule CC(C)OCCCN(Cc1ccco1)C(=O)Nc2cn(c(=O)c3c2cccc3)C −5.4 ± 0.5 3.9 ± 0.3
5959 VLA-UCB-1dbca3b4-12 molecule c1ccc2c(c1)cncc2N3C(=O)C(N(C3=O)CC4CCCCC4)c5cccc(c5)Cl −5.4 ± 0.2 3.9 ± 0.2
5960 ALP-UNI-44c99a80-4 molecule c1ccc2c(c1)cncc2N(Cc3cnco3)C(=O)Cc4cccc(c4)Cl −5.4 ± 0.4 3.9 ± 0.3
5961 ALP-UNI-0676e700-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cccc(c5)OCC(=O)N −5.4 ± 0.2 3.9 ± 0.1
5962 MAT-POS-9ff17035-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CCC(=O)N4 −5.35 ± 0.07 3.90 ± 0.05
5963 EN300-169955_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5[C@@H](CC(=O)N5)C(F)(F)F −5.3 ± 0.2 3.9 ± 0.1
5964 LON-WEI-5e7d1b3e-42 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCc4c3cccc4 −5.3 ± 0.4 3.9 ± 0.3
5965 EN300-174668_2_2 molecule CO[C@]1(CCOC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.3 ± 0.2 3.9 ± 0.1
5966 ALP-UNI-0676e700-28 molecule Cn1cc(c(=O)n(c1=O)C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.3 ± 0.4 3.9 ± 0.3
5967 MAT-POS-2492181e-11 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −5.3 ± 0.5 3.9 ± 0.4
5968 EN300-89418_2_1 molecule C[C@@](CO)(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −5.3 ± 0.2 3.8 ± 0.2
5969 MAT-POS-2492181e-5 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccsc3 −5.3 ± 0.4 3.8 ± 0.3
5970 LON-WEI-5e7d1b3e-55 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccc4c(c3)OCO4 −5.3 ± 0.6 3.8 ± 0.4
5971 LON-WEI-5e7d1b3e-50 molecule CCCCN(CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3 −5.2 ± 0.5 3.8 ± 0.4
5972 MIC-UNK-67d4a29a-2 molecule CN(c1cncc2c1c(ccc2)F)C(=O)Cc3cccc(c3)Cl −5.2 ± 0.3 3.8 ± 0.2
5973 EN300-22880_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC[C@H](C5)C(=O)N −5.2 ± 0.2 3.8 ± 0.1
5974 LON-WEI-4d77710c-18 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(cc3OC)OC −5.2 ± 0.5 3.8 ± 0.3
5975 RAL-THA-8416115c-12 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]nnn5 −5.2 ± 0.3 3.8 ± 0.2
5976 EN300-305567_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc[n+]6c(c5)[nH]nn6 −5.2 ± 0.2 3.8 ± 0.1
5977 ALP-POS-5bb456a5-2 molecule CC1CN(CCC1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −5.2 ± 0.4 3.8 ± 0.3
5978 LON-WEI-4d77710c-4 molecule Cc1ccc(c(c1)Br)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −5.2 ± 0.4 3.8 ± 0.3
5979 LON-WEI-4d77710c-17 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −5.2 ± 0.6 3.8 ± 0.4
5980 RAL-THA-1d44ff04-9 molecule CS(=O)(=O)NCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −5.2 ± 0.4 3.8 ± 0.3
5981 LON-WEI-4d77710c-42 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCc4c3cccc4 −5.2 ± 0.4 3.8 ± 0.3
5982 EN300-123205_2_1 molecule CNS(=O)(=O)CCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −5.1 ± 0.2 3.8 ± 0.1
5983 MAK-UNK-c749d764-16 molecule CC(N(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F)O −5.1 ± 0.3 3.7 ± 0.2
5984 LON-WEI-4d77710c-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −5.1 ± 0.5 3.7 ± 0.3
5985 MIC-UNK-cdc2493e-11 molecule CN(C)C1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −5.1 ± 0.5 3.7 ± 0.4
5986 MAK-UNK-c749d764-3 molecule CC1(CNC1)OCN(c2cncc3c2cccc3)C(=O)CC4CCCC(C4O)C(F)F −5.1 ± 0.4 3.7 ± 0.3
5987 LON-WEI-4d77710c-40 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCC3=CCCCC3 −5.1 ± 0.6 3.7 ± 0.4
5988 ED_-GRI-5b13fbe2-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCN(CC5)CC(=O)N −5.1 ± 0.3 3.7 ± 0.3
5989 LON-WEI-4d77710c-13 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC3CCCO3 −5.1 ± 0.5 3.7 ± 0.4
5990 LON-WEI-5e7d1b3e-48 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3cc(ccc3OC)OC −5.1 ± 0.7 3.7 ± 0.5
5991 LON-WEI-5e7d1b3e-17 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −5.1 ± 0.5 3.7 ± 0.4
5992 LON-WEI-4d77710c-49 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3 −5.0 ± 0.4 3.7 ± 0.3
5993 ALP-UNI-0676e700-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)C5CCCO5 −5.0 ± 0.2 3.7 ± 0.2
5994 EN300-14767_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCN(C5)C(=O)N −5.0 ± 0.2 3.7 ± 0.1
5995 EN300-214552_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c([nH]c(=O)[nH]6)nc5 −5.0 ± 0.2 3.7 ± 0.1
5996 ALP-UNI-0676e700-12 molecule Cc1ccc(=O)n(n1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −5.0 ± 0.4 3.6 ± 0.3
5997 LON-WEI-5e7d1b3e-29 molecule CCOC(=O)Cc1csc(n1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −5.0 ± 0.7 3.6 ± 0.5
5998 LON-WEI-4d77710c-12 molecule CCOC(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −5.0 ± 0.7 3.6 ± 0.5
5999 EN300-13499_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCCNC(=O)N −4.9 ± 0.2 3.6 ± 0.1
6000 MAT-POS-b5746674-102 molecule CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 −4.9 ± 0.5 3.6 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty