430 SMILES Strings for Cyclin-H/Cyclin-dependent kinase 7

Compound Name
SMILES String
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Nc1n[nH]c(N)c1\N=N\c1ccccc1
Nc1n[nH]c(N)c1\N=N\c1ccccc1[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccccc1CO
N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
COC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
NC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
CNC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
CN(C)C(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1nccs1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1
Cc1cnnn1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1cccn1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1nccn1
C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1ccccc1
OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C
CCc1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)\C=C\CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C3CC3)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cn(C)c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cnc3[nH]ccc3c2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(-c3c[nH]c4ccccc34)c3ccccc3n2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3[nH]2)c1
CCSNC(=O)CCNc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c(nn3ccccc23)-c2ccccc2)c1 |(21.28,29.14,;21.28,27.6,;22.62,26.83,;19.95,26.83,;19.95,25.29,;18.62,24.52,;18.62,22.98,;19.95,22.21,;17.28,22.21,;15.95,22.98,;14.62,22.21,;13.28,22.98,;13.28,24.52,;14.62,25.29,;15.95,24.52,;11.95,25.29,;10.86,24.2,;11.95,26.83,;11.95,28.37,;13.28,29.14,;13.28,30.68,;11.95,31.45,;10.61,30.68,;9.28,31.45,;7.95,30.68,;6.61,31.45,;5.28,30.68,;5.28,29.14,;3.95,28.37,;6.61,28.37,;7.95,29.14,;6.61,26.83,;5.37,25.93,;5.84,24.46,;7.38,24.46,;8.41,23.32,;9.92,23.64,;10.4,25.1,;9.37,26.25,;7.86,25.93,;3.83,25.93,;3.06,27.26,;1.52,27.26,;.75,25.93,;1.52,24.59,;3.06,24.59,;10.61,29.14,)|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nc(C)c(C)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c[nH]c3cccc(C)c23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c3cccc(C)c23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(c(n2)-c2c[nH]c3ccccc23)C(F)(F)F)c1
CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)c1
CN(CCCNC(=O)NCCOCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)ccc1C
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N(C)c1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CC(C)c1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)\C=C\CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cccc3n(C)ccc23)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3n(C)ccc3c2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3ccn(C)c3c2)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2cc3ccccc3n2C)c1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2ccc3ccn(C)c3n2)c1
CN(C)C\C=C/C(=O)Nc1ccc(NC(=O)c2cccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)c2)cc1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
CN1CCN(CC1)c1cc(ccn1)-c1nc(Nc2cccc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2)ncc1Cl
Clc1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2)nc1-c1ccnc(c1)N1CCNCC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r|
CS(=O)(=O)N1CCC(CC1)Sc1ncc2ccnc(C3CCCC3O)c2n1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
C[C@@H]1CN([C@H](C)CO1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
OCC1CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2COCC2C1 |r|
CC1(O)CCN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCOC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCC2(CCOCC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCOC2 |r|
C[C@@H]1OCC2(CCN(CC2)c2ccc3c(c[nH]c3n2)-c2nc(N[C@H]3CCCNC3)ncc2C(F)(F)F)[C@@H]1N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C[C@@H]2C[C@H]1CO2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(COC2)C1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(COC2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC2(CCO2)CC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2(C1)CCCOC2 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCC(CC1)C#N |r|
CC1(CN(C1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCCOCC1 |r|
CC1(O)CCN(CC1)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCN(CC1)C1COC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CCS(=O)(=O)CC1 |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOCC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCOC1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCCCO1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C12CC1COCC2 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CCC1CO2 |r|
FC(F)(F)[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1CC2CC(C1)O2 |r|
FC(F)(F)c1cnc(N[C@@H]2[C@@H]3CC[C@H]2NC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r|
FC(F)(F)c1cnc(N[C@@H]2CN3CCC2CC3)nc1-c1c[nH]c2nc(ccc12)N1CCOCC1 |r,wD:9.8,(4.34,1.3,;4.82,-.17,;6.33,-.49,;5.85,.98,;3.79,-1.31,;4.27,-2.78,;3.23,-3.92,;1.73,-3.6,;.7,-4.74,;-.81,-4.42,;-1.84,-5.57,;-3.35,-5.25,;-3.82,-3.78,;-2.79,-2.64,;-1.28,-2.96,;-2.44,-3.28,;-3.14,-3.87,;1.25,-2.14,;2.28,-.99,;1.81,.47,;2.71,1.72,;1.81,2.97,;.34,2.49,;-.99,3.26,;-2.32,2.49,;-2.32,.95,;-.99,.18,;.34,.95,;-3.66,3.26,;-3.66,4.8,;-4.99,5.57,;-6.33,4.8,;-6.33,3.26,;-4.99,2.49,)|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOCC1)C(F)(F)F |r|
C[C@H]1CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCC3(CC3)NC2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNCC(F)(F)C2)ncc1C(F)(F)F |r|
C[C@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCCOC[C@@H]1C)C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@@H]2CNC[C@H](F)C2)ncc1C(F)(F)F |r|
C[C@H]1COCCCN1c1nc2[nH]cc(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c2cc1F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)N1CCCC1
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)N1C2CC1COC2 |r|
CC[C@H]1COCCN1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCOC1 |r,t:30|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1=CCCCO1 |r,t:30|
CC1COCCC1c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCCCO1 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2nc(ccc12)C1CCCCO1 |r|
CP(C)(=O)c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
C[C@@H]1CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2nc(ccc12)N1CCOC[C@@H]1C)C(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C1CCC(CC1)Nc1cc2c3ccc(F)cc3nn2cn1 |(-7.58,-5.43,;-6.25,-4.66,;-4.92,-5.43,;-6.25,-3.12,;-7.58,-2.35,;-7.58,-.81,;-6.25,-.04,;-4.92,-.81,;-4.92,-2.35,;-6.25,1.5,;-4.92,2.27,;-3.58,1.5,;-2.25,2.27,;-.79,1.8,;-.16,.39,;1.37,.23,;2.28,1.47,;3.81,1.31,;1.65,2.88,;.12,3.04,;-.78,4.29,;-2.25,3.81,;-3.58,4.58,;-4.92,3.81,)|
N[C@@H]1CCC(C1)Nc1cc2c3ccc(F)cc3nn2cn1 |r|
N[C@H]1CCC(C1)Nc1cc2c3ccc(F)cc3nn2cn1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
Nc1n[nH]c(N)c1\N=N\c1ccncc1
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1
Cn1nc(N)c(\N=N\c2ccncc2)c1N
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCC(N)CC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Cc1nc(sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1)N(C1CCCC1)C1CCCC1
Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1)c1ccccc1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1N=O
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1
Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1
c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F
CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(nc12)C(C)(C)C
CC(=O)c1c(C)c2ccc(Nc3nccc(n3)-c3cccnc3)cc2oc1=O
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
COc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCN(C)CC2)c1C#N)-c1ccccc1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN3CCC2CC3)ncc1C |THB:16:18:22.23:26.25,(4.01,-25.19,;4.78,-26.52,;4,-27.85,;2.46,-28,;2.12,-29.52,;.78,-30.28,;3.46,-30.3,;4.62,-29.27,;3.45,-31.83,;4.77,-32.61,;4.75,-34.15,;6.08,-34.92,;7.42,-34.16,;8.75,-34.92,;10.08,-34.16,;10.08,-32.61,;8.75,-31.85,;7.42,-32.62,;8.74,-30.31,;9.82,-31.09,;9.43,-29.51,;7.91,-28.84,;7.84,-27.32,;7.18,-28.55,;7.26,-30.38,;6.2,-31.14,;6.52,-29.6,;3.43,-34.91,;2.1,-34.14,;2.11,-32.6,;.78,-31.83,)|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
COc1ccccc1C1=C(Nc2cccc(c2)C#N)C(=O)NC1=O |c:9|
Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)C#N |r|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CS(=O)(=O)c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CP(C)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
Cc1noc(C)c1-c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|
CS(=O)(=O)c1c(ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|
CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(c(ccc12)C#N)S(C)(=O)=O |r|
Cc1noc(C)c1-c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F
CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cn(C(C)C)c4ncccc34)nc2)CC1
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2n[nH]c(C(C)C)c2n1 |r|
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r|
CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
Cc1ccc(cc1)N(SC(Cl)(Cl)Cl)S(=O)(=O)c1cc(Cl)sc1Cl
Cn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
Cn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
CCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
CCCn1nc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c2ccccc12
CCCn1nc(-c2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c2ccccc12
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)cc1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2nn(Cc3cccnc3)c3ccccc23)c1
NS(=O)(=O)c1ccc(Nc2nccc(n2)-n2ncc3ccccc23)cc1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-n2ncc3ccccc23)c1
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O |w:6.6,c:3|
COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nc2CCc3cnc(Nc4cccc(O)c4)nc3-c2s1
CN(C)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Nc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(O)cc4)nc3-c2s1
CN(C)c1ccc(Nc2ncc3CCc4nc(N)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c2s1
COc1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cn1
Nc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(Cl)nc4)nc3-c2s1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2CCc3nc(C)sc3-c2n1
Cc1nc2CCc3cnc(Nc4ccccc4)nc3-c2s1
Cc1nc2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c2s1
COC(=O)c1ccc(Nc2ncc3CCc4nc(C)sc4-c3n2)cc1
Cc1nc2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c2s1
Cc1nc2CCc3cnc(N)nc3-c2s1
CN(c1cccc(c1)[N+]([O-])=O)c1ncc2ccc3nc(C)sc3c2n1
Cc1nc2ccc3cnc(Nc4ccccc4)nc3c2s1
Cc1nc2ccc3cnc(NC(=O)c4ccccc4)nc3c2s1
Cc1nc2ccc3cnc(NCc4ccccc4)nc3c2s1
CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)|
CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)|
CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(F)(F)F
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1)C(F)(F)F
CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1ncc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(CC(F)(F)F)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)ncc1O
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1F
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1O
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
CCc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1-c1sc(NC)nc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N
CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cc(ccc2Cl)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3nc[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1
CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12