inchi stringlengths 33 163 | smiles stringlengths 15 57 |
|---|---|
InChI=1S/C14H15NO2S/c1-10-4-3-5-12(8-10)17-7-6-14-15-13(9-18-14)11(2)16/h3-5,8-9H,6-7H2,1-2H3 | CC(=O)c1csc(CCOc2cccc(C)c2)n1 |
InChI=1S/C13H11FN2OS/c14-10-1-3-12(4-2-10)17-8-6-13-16-11(5-7-15)9-18-13/h1-4,9H,5-6,8H2 | N#CCc1csc(CCOc2ccc(F)cc2)n1 |
InChI=1S/C14H16FNO2S/c1-14(2,17)12-9-19-13(16-12)7-8-18-11-5-3-10(15)4-6-11/h3-6,9,17H,7-8H2,1-2H3 | CC(C)(O)c1csc(CCOc2ccc(F)cc2)n1 |
InChI=1S/C13H11ClN2OS/c14-10-2-1-3-12(8-10)17-7-5-13-16-11(4-6-15)9-18-13/h1-3,8-9H,4-5,7H2 | N#CCc1csc(CCOc2cccc(Cl)c2)n1 |
InChI=1S/C14H16ClNO2S/c1-14(2,17)12-9-19-13(16-12)6-7-18-11-5-3-4-10(15)8-11/h3-5,8-9,17H,6-7H2,1-2H3 | CC(C)(O)c1csc(CCOc2cccc(Cl)c2)n1 |
InChI=1S/C13H12ClNO2S/c1-9(16)12-8-18-13(15-12)5-6-17-11-4-2-3-10(14)7-11/h2-4,7-8H,5-6H2,1H3 | CC(=O)c1csc(CCOc2cccc(Cl)c2)n1 |
InChI=1S/C13H12N2O2S/c1-16-11-5-3-4-10(12(11)17-2)13-15-9(6-7-14)8-18-13/h3-5,8H,6H2,1-2H3 | COc1cccc(-c2nc(CC#N)cs2)c1OC |
InChI=1S/C14H17NO3S/c1-14(2,16)11-8-19-13(15-11)9-6-5-7-10(17-3)12(9)18-4/h5-8,16H,1-4H3 | COc1cccc(-c2nc(C(C)(C)O)cs2)c1OC |
InChI=1S/C13H12N2O2S/c1-3-17-12-10(5-4-6-11(12)16-2)13-15-9(7-14)8-18-13/h4-6,8H,3H2,1-2H3 | CCOc1c(OC)cccc1-c1nc(C#N)cs1 |
InChI=1S/C14H14N2O2S/c1-3-18-13-8-10(4-5-12(13)17-2)14-16-11(6-7-15)9-19-14/h4-5,8-9H,3,6H2,1-2H3 | CCOc1cc(-c2nc(CC#N)cs2)ccc1OC |
InChI=1S/C15H19NO3S/c1-5-19-12-8-10(6-7-11(12)18-4)14-16-13(9-20-14)15(2,3)17/h6-9,17H,5H2,1-4H3 | CCOc1cc(-c2nc(C(C)(C)O)cs2)ccc1OC |
InChI=1S/C14H15NO3S/c1-4-18-13-7-10(5-6-12(13)17-3)14-15-11(8-19-14)9(2)16/h5-8H,4H2,1-3H3 | CCOc1cc(-c2nc(C(C)=O)cs2)ccc1OC |
InChI=1S/C9H13N5S2/c1-4-10-8-13-12-7(16-8)6-5-15-9(11-6)14(2)3/h5H,4H2,1-3H3,(H,10,13) | CCNc1nnc(-c2csc(N(C)C)n2)s1 |
InChI=1S/C10H15N5S2/c1-6(2)11-9-14-13-8(17-9)7-5-16-10(12-7)15(3)4/h5-6H,1-4H3,(H,11,14) | CC(C)Nc1nnc(-c2csc(N(C)C)n2)s1 |
InChI=1S/C17H15NO3/c1-2-10-20-17(19)14-8-9-15(18)16(11-14)21-12-13-6-4-3-5-7-13/h1,3-9,11H,10,12,18H2 | C#CCOC(=O)c1ccc(N)c(OCc2ccccc2)c1 |
InChI=1S/C15H19NO3/c1-4-8-19-15(17)12-5-6-13(16)14(10-12)18-9-7-11(2)3/h1,5-6,10-11H,7-9,16H2,2-3H3 | C#CCOC(=O)c1ccc(N)c(OCCC(C)C)c1 |
InChI=1S/C15H16O3S/c1-4-9-18-14(16)10-19-13-7-5-12(6-8-13)15(17)11(2)3/h1,5-8,11H,9-10H2,2-3H3 | C#CCOC(=O)CSc1ccc(C(=O)C(C)C)cc1 |
InChI=1S/C15H14O3S/c1-2-9-18-14(16)10-19-13-7-5-12(6-8-13)15(17)11-3-4-11/h1,5-8,11H,3-4,9-10H2 | C#CCOC(=O)CSc1ccc(C(=O)C2CC2)cc1 |
InChI=1S/C13H12O5S/c1-3-8-18-13(15)9-19(16,17)12-6-4-11(5-7-12)10(2)14/h1,4-7H,8-9H2,2H3 | C#CCOC(=O)CS(=O)(=O)c1ccc(C(C)=O)cc1 |
InChI=1S/C16H18N2O3/c1-5-9-21-16(20)13(6-2)18-14(11(3)4)8-7-12(10-17)15(18)19/h1,7-8,11,13H,6,9H2,2-4H3 | C#CCOC(=O)C(CC)n1c(C(C)C)ccc(C#N)c1=O |
InChI=1S/C15H16O3S/c1-4-10-18-15(17)14(5-2)19-13-8-6-12(7-9-13)11(3)16/h1,6-9,14H,5,10H2,2-3H3 | C#CCOC(=O)C(CC)Sc1ccc(C(C)=O)cc1 |
InChI=1S/C15H12FNO2/c16-11-7-5-10(6-8-11)9-17-14-12-3-1-2-4-13(12)15(18)19-14/h1-8,14,17H,9H2 | O=C1OC(NCc2ccc(F)cc2)c2ccccc21 |
InChI=1S/C10H11BrN2O/c1-2-9(14)8-6-12-10-7(11)4-3-5-13(8)10/h3-6,9,14H,2H2,1H3 | CCC(O)c1cnc2c(Br)cccn12 |
InChI=1S/C14H17N3O2/c1-17(6-7-18)14(19)9-12-4-2-10-8-11(15)3-5-13(10)16-12/h2-5,8,18H,6-7,9,15H2,1H3 | CN(CCO)C(=O)Cc1ccc2cc(N)ccc2n1 |
InChI=1S/C14H17N3O2/c1-17(7-8-18)13(19)9-11-6-5-10-3-2-4-12(15)14(10)16-11/h2-6,18H,7-9,15H2,1H3 | CN(CCO)C(=O)Cc1ccc2cccc(N)c2n1 |
InChI=1S/C10H13BrN2O2/c1-13(4-5-14)10(15)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5,12H2,1H3 | CN(CCO)C(=O)c1cc(Br)ccc1N |
InChI=1S/C10H13BrN2O2/c1-13(5-6-14)10(15)7-3-2-4-8(11)9(7)12/h2-4,14H,5-6,12H2,1H3 | CN(CCO)C(=O)c1cccc(Br)c1N |
InChI=1S/C12H13N3O2S/c1-7-6-18-12(14-7)15-11(16)9-4-3-8(17-2)5-10(9)13/h3-6H,13H2,1-2H3,(H,14,15,16) | COc1ccc(C(=O)Nc2nc(C)cs2)c(N)c1 |
InChI=1S/C11H10ClN3OS/c1-6-5-17-11(14-6)15-10(16)7-3-2-4-8(12)9(7)13/h2-5H,13H2,1H3,(H,14,15,16) | Cc1csc(NC(=O)c2cccc(Cl)c2N)n1 |
InChI=1S/C14H17N3OS/c1-9-8-19-13(16-9)17-12(18)14(2,3)10-4-6-11(15)7-5-10/h4-8H,15H2,1-3H3,(H,16,17,18) | Cc1csc(NC(=O)C(C)(C)c2ccc(N)cc2)n1 |
InChI=1S/C15H14N4OS/c1-9-8-21-15(17-9)19-14(20)7-12-4-2-10-6-11(16)3-5-13(10)18-12/h2-6,8H,7,16H2,1H3,(H,17,19,20) | Cc1csc(NC(=O)Cc2ccc3cc(N)ccc3n2)n1 |
InChI=1S/C15H14N4OS/c1-9-8-21-15(17-9)19-13(20)7-11-6-5-10-3-2-4-12(16)14(10)18-11/h2-6,8H,7,16H2,1H3,(H,17,19,20) | Cc1csc(NC(=O)Cc2ccc3cccc(N)c3n2)n1 |
InChI=1S/C12H13N3O2S/c1-17-8-2-3-9(10(13)6-8)12(16)15-7-11-14-4-5-18-11/h2-6H,7,13H2,1H3,(H,15,16) | COc1ccc(C(=O)NCc2nccs2)c(N)c1 |
InChI=1S/C15H19N3OS/c1-10-8-17-13(20-10)9-18-14(19)15(2,3)11-4-6-12(16)7-5-11/h4-8H,9,16H2,1-3H3,(H,18,19) | Cc1cnc(CNC(=O)C(C)(C)c2ccc(N)cc2)s1 |
InChI=1S/C14H12F2N2O2/c1-20-9-3-4-10(13(17)7-9)14(19)18-8-2-5-11(15)12(16)6-8/h2-7H,17H2,1H3,(H,18,19) | COc1ccc(C(=O)Nc2ccc(F)c(F)c2)c(N)c1 |
InChI=1S/C13H9ClF2N2O/c14-9-3-1-2-8(12(9)17)13(19)18-7-4-5-10(15)11(16)6-7/h1-6H,17H2,(H,18,19) | Nc1c(Cl)cccc1C(=O)Nc1ccc(F)c(F)c1 |
InChI=1S/C15H15ClN2O2/c1-20-12-6-7-13(14(17)8-12)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3,(H,18,19) | COc1ccc(C(=O)NCc2ccc(Cl)cc2)c(N)c1 |
InChI=1S/C14H12Cl2N2O/c15-10-6-4-9(5-7-10)8-18-14(19)11-2-1-3-12(16)13(11)17/h1-7H,8,17H2,(H,18,19) | Nc1c(Cl)cccc1C(=O)NCc1ccc(Cl)cc1 |
InChI=1S/C14H12ClFN2O/c1-8-7-9(15)5-6-12(8)18-14(19)10-3-2-4-11(16)13(10)17/h2-7H,17H2,1H3,(H,18,19) | Cc1cc(Cl)ccc1NC(=O)c1cccc(F)c1N |
InChI=1S/C15H15ClN2O2/c1-9-7-10(16)3-6-14(9)18-15(19)12-5-4-11(20-2)8-13(12)17/h3-8H,17H2,1-2H3,(H,18,19) | COc1ccc(C(=O)Nc2ccc(Cl)cc2C)c(N)c1 |
InChI=1S/C17H16FN3O/c18-14-6-3-5-13(16(14)19)17(22)20-9-8-11-10-21-15-7-2-1-4-12(11)15/h1-7,10,21H,8-9,19H2,(H,20,22) | Nc1c(F)cccc1C(=O)NCCc1c[nH]c2ccccc12 |
InChI=1S/C17H16FN3O/c18-12-5-6-15(19)14(9-12)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8,19H2,(H,20,22) | Nc1ccc(F)cc1C(=O)NCCc1c[nH]c2ccccc12 |
InChI=1S/C17H17NO3/c1-12(7-17(19)21-3)14-8-15(11-18-10-14)13-5-4-6-16(9-13)20-2/h4-11H,1-3H3 | COC(=O)C=C(C)c1cncc(-c2cccc(OC)c2)c1 |
InChI=1S/C14H16N2O3/c1-9(17)10-5-12(11-7-15-16(2)8-11)14(19-4)13(6-10)18-3/h5-8H,1-4H3 | COc1cc(C(C)=O)cc(-c2cnn(C)c2)c1OC |
InChI=1S/C18H16N2O/c1-20-13-17(12-19-20)15-9-7-14(8-10-15)11-18(21)16-5-3-2-4-6-16/h2-10,12-13H,11H2,1H3 | Cn1cc(-c2ccc(CC(=O)c3ccccc3)cc2)cn1 |
InChI=1S/C17H15N3O/c1-20-12-16(11-19-20)14-6-4-13(5-7-14)9-17(21)15-3-2-8-18-10-15/h2-8,10-12H,9H2,1H3 | Cn1cc(-c2ccc(CC(=O)c3cccnc3)cc2)cn1 |
InChI=1S/C14H12N4OS/c1-9(19)13-12(11-7-16-18(2)8-11)17-14(20-13)10-3-5-15-6-4-10/h3-8H,1-2H3 | CC(=O)c1sc(-c2ccncc2)nc1-c1cnn(C)c1 |
InChI=1S/C19H15NO2/c21-18-9-7-16(8-10-18)15-5-3-14(4-6-15)12-19(22)17-2-1-11-20-13-17/h1-11,13,21H,12H2 | O=C(Cc1ccc(-c2ccc(O)cc2)cc1)c1cccnc1 |
InChI=1S/C16H12N2O2S/c1-10(19)15-14(11-2-4-13(20)5-3-11)18-16(21-15)12-6-8-17-9-7-12/h2-9,20H,1H3 | CC(=O)c1sc(-c2ccncc2)nc1-c1ccc(O)cc1 |
InChI=1S/C12H11FN2OS/c1-7(16)11-10(15-12(14-2)17-11)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,15) | CNc1nc(-c2ccc(F)cc2)c(C(C)=O)s1 |
InChI=1S/C12H9ClFNOS/c1-6(16)12-11(15-7(2)17-12)8-3-4-10(14)9(13)5-8/h3-5H,1-2H3 | CC(=O)c1sc(C)nc1-c1ccc(F)c(Cl)c1 |
InChI=1S/C13H13ClN2O2S/c1-7(17)12-11(16-13(15-2)19-12)8-4-5-10(18-3)9(14)6-8/h4-6H,1-3H3,(H,15,16) | CNc1nc(-c2ccc(OC)c(Cl)c2)c(C(C)=O)s1 |
InChI=1S/C15H12N2O2/c1-11(18)14-7-8-15(19-14)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-10H,1H3 | CC(=O)c1ccc(-c2cnn(-c3ccccc3)c2)o1 |
InChI=1S/C16H13N3O/c1-12(20)13-7-14(9-17-8-13)15-10-18-19(11-15)16-5-3-2-4-6-16/h2-11H,1H3 | CC(=O)c1cncc(-c2cnn(-c3ccccc3)c2)c1 |
InChI=1S/C15H12N2OS/c1-11(18)14-7-8-15(19-14)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-10H,1H3 | CC(=O)c1ccc(-c2cnn(-c3ccccc3)c2)s1 |
InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-10-11-4-6-12(7-5-11)15-8-9-17/h4-7,15,17H,8-10H2,1-3H3,(H,16,18) | CC(C)(C)OC(=O)NCc1ccc(NCCO)cc1 |
InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)16-10-11-5-4-6-12(9-11)15-7-8-17/h4-6,9,15,17H,7-8,10H2,1-3H3,(H,16,18) | CC(C)(C)OC(=O)NCc1cccc(NCCO)c1 |
InChI=1S/C11H9F3N2S/c12-7-1-2-8(11(14)10(7)13)15-4-3-9-16-5-6-17-9/h1-2,5-6,15H,3-4H2 | Fc1ccc(NCCc2nccs2)c(F)c1F |
InChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-10(8-9)16-5-4-11-17-6-7-18-11/h1-3,6-8,16H,4-5H2 | FC(F)(F)c1cccc(NCCc2nccs2)c1 |
InChI=1S/C15H15ClFNO2/c1-20-15-7-6-12(17)8-13(15)18-9-14(19)10-2-4-11(16)5-3-10/h2-8,14,18-19H,9H2,1H3 | COc1ccc(F)cc1NCC(O)c1ccc(Cl)cc1 |
InChI=1S/C18H22N2O2/c1-19(17-6-8-18(21)9-7-17)16-4-2-15(3-5-16)14-20-10-12-22-13-11-20/h2-9,21H,10-14H2,1H3 | CN(c1ccc(O)cc1)c1ccc(CN2CCOCC2)cc1 |
InChI=1S/C17H20N2O2/c20-17-4-2-1-3-16(17)18-15-7-5-14(6-8-15)13-19-9-11-21-12-10-19/h1-8,18,20H,9-13H2 | Oc1ccccc1Nc1ccc(CN2CCOCC2)cc1 |
InChI=1S/C17H20N2O2/c20-17-3-1-2-16(12-17)18-15-6-4-14(5-7-15)13-19-8-10-21-11-9-19/h1-7,12,18,20H,8-11,13H2 | Oc1cccc(Nc2ccc(CN3CCOCC3)cc2)c1 |
InChI=1S/C17H20N2O2/c20-17-7-5-16(6-8-17)18-15-3-1-14(2-4-15)13-19-9-11-21-12-10-19/h1-8,18,20H,9-13H2 | Oc1ccc(Nc2ccc(CN3CCOCC3)cc2)cc1 |
InChI=1S/C16H15FN2O/c1-11(20)19-8-7-12-9-15(5-6-16(12)19)18-14-4-2-3-13(17)10-14/h2-6,9-10,18H,7-8H2,1H3 | CC(=O)N1CCc2cc(Nc3cccc(F)c3)ccc21 |
InChI=1S/C18H19N3O/c19-13-16-2-1-3-18(12-16)20-17-6-4-15(5-7-17)14-21-8-10-22-11-9-21/h1-7,12,20H,8-11,14H2 | N#Cc1cccc(Nc2ccc(CN3CCOCC3)cc2)c1 |
InChI=1S/C17H18N2O2/c1-12(20)19-10-9-13-11-14(7-8-16(13)19)18-15-5-3-4-6-17(15)21-2/h3-8,11,18H,9-10H2,1-2H3 | COc1ccccc1Nc1ccc2c(c1)CCN2C(C)=O |
InChI=1S/C17H18N2O2/c1-12(20)19-9-8-13-10-15(6-7-17(13)19)18-14-4-3-5-16(11-14)21-2/h3-7,10-11,18H,8-9H2,1-2H3 | COc1cccc(Nc2ccc3c(c2)CCN3C(C)=O)c1 |
InChI=1S/C17H18N2O2/c1-12(20)19-10-9-13-11-15(5-8-17(13)19)18-14-3-6-16(21-2)7-4-14/h3-8,11,18H,9-10H2,1-2H3 | COc1ccc(Nc2ccc3c(c2)CCN3C(C)=O)cc1 |
InChI=1S/C18H18N2O2/c1-12(21)14-4-3-5-16(10-14)19-17-6-7-18-15(11-17)8-9-20(18)13(2)22/h3-7,10-11,19H,8-9H2,1-2H3 | CC(=O)c1cccc(Nc2ccc3c(c2)CCN3C(C)=O)c1 |
InChI=1S/C18H18N2O2/c1-12(21)14-3-5-16(6-4-14)19-17-7-8-18-15(11-17)9-10-20(18)13(2)22/h3-8,11,19H,9-10H2,1-2H3 | CC(=O)c1ccc(Nc2ccc3c(c2)CCN3C(C)=O)cc1 |
InChI=1S/C18H18N2O2/c1-12(21)16-5-3-4-6-17(16)19-15-7-8-18-14(11-15)9-10-20(18)13(2)22/h3-8,11,19H,9-10H2,1-2H3 | CC(=O)c1ccccc1Nc1ccc2c(c1)CCN2C(C)=O |
InChI=1S/C17H24N4O/c1-2-21-13-19-20-17(21)12-18-11-14-7-3-6-10-16(14)22-15-8-4-5-9-15/h3,6-7,10,13,15,18H,2,4-5,8-9,11-12H2,1H3 | CCn1cnnc1CNCc1ccccc1OC1CCCC1 |
InChI=1S/C15H20N2OS/c1-3-15-17-13(11-19-15)10-16-8-7-12-5-4-6-14(9-12)18-2/h4-6,9,11,16H,3,7-8,10H2,1-2H3 | CCc1nc(CNCCc2cccc(OC)c2)cs1 |
InChI=1S/C16H19N5S/c1-3-16-20-14(11-22-16)10-17-8-13-4-5-15(19-9-13)21-7-6-18-12(21)2/h4-7,9,11,17H,3,8,10H2,1-2H3 | CCc1nc(CNCc2ccc(-n3ccnc3C)nc2)cs1 |
InChI=1S/C16H23N3O/c1-11-6-5-7-16(12(11)2)17-10-15-13(3)18-19(8-9-20)14(15)4/h5-7,17,20H,8-10H2,1-4H3 | Cc1cccc(NCc2c(C)nn(CCO)c2C)c1C |
InChI=1S/C16H23N3O/c1-4-14-7-5-6-8-16(14)17-11-15-12(2)18-19(9-10-20)13(15)3/h5-8,17,20H,4,9-11H2,1-3H3 | CCc1ccccc1NCc1c(C)nn(CCO)c1C |
InChI=1S/C19H24N2O3/c1-12-8-15(9-13(2)19(12)24-5)11-20-17-10-16(21-14(3)22)6-7-18(17)23-4/h6-10,20H,11H2,1-5H3,(H,21,22) | COc1ccc(NC(C)=O)cc1NCc1cc(C)c(OC)c(C)c1 |
InChI=1S/C15H19N3O2S/c1-4-15-18-12(9-21-15)8-16-13-7-11(17-10(2)19)5-6-14(13)20-3/h5-7,9,16H,4,8H2,1-3H3,(H,17,19) | CCc1nc(CNc2cc(NC(C)=O)ccc2OC)cs1 |
InChI=1S/C17H24N4O3/c1-11-15(12(2)21(20-11)7-8-22)10-18-16-9-14(19-13(3)23)5-6-17(16)24-4/h5-6,9,18,22H,7-8,10H2,1-4H3,(H,19,23) | COc1ccc(NC(C)=O)cc1NCc1c(C)nn(CCO)c1C |
InChI=1S/C17H23N3O2S/c1-11(21)19-12-6-7-15(22-5)14(8-12)18-9-13-10-23-16(20-13)17(2,3)4/h6-8,10,18H,9H2,1-5H3,(H,19,21) | COc1ccc(NC(C)=O)cc1NCc1csc(C(C)(C)C)n1 |
InChI=1S/C16H21N3S/c1-2-16-18-13(12-20-16)11-17-14-7-3-4-8-15(14)19-9-5-6-10-19/h3-4,7-8,12,17H,2,5-6,9-11H2,1H3 | CCc1nc(CNc2ccccc2N2CCCC2)cs1 |
InChI=1S/C18H26N4O/c1-14-16(15(2)22(20-14)11-12-23)13-19-17-7-3-4-8-18(17)21-9-5-6-10-21/h3-4,7-8,19,23H,5-6,9-13H2,1-2H3 | Cc1nn(CCO)c(C)c1CNc1ccccc1N1CCCC1 |
InChI=1S/C15H15N3S/c1-2-14-18-12(10-19-14)9-17-13-7-3-5-11-6-4-8-16-15(11)13/h3-8,10,17H,2,9H2,1H3 | CCc1nc(CNc2cccc3cccnc23)cs1 |
InChI=1S/C15H19N3OS/c1-4-15-18-12(9-20-15)8-16-13-6-5-7-14(10(13)2)17-11(3)19/h5-7,9,16H,4,8H2,1-3H3,(H,17,19) | CCc1nc(CNc2cccc(NC(C)=O)c2C)cs1 |
InChI=1S/C17H17N3OS2/c1-11-15(4-3-5-16(11)19-12(2)21)18-8-14-10-23-17(20-14)13-6-7-22-9-13/h3-7,9-10,18H,8H2,1-2H3,(H,19,21) | CC(=O)Nc1cccc(NCc2csc(-c3ccsc3)n2)c1C |
InChI=1S/C17H23N3OS/c1-11-14(7-6-8-15(11)19-12(2)21)18-9-13-10-22-16(20-13)17(3,4)5/h6-8,10,18H,9H2,1-5H3,(H,19,21) | CC(=O)Nc1cccc(NCc2csc(C(C)(C)C)n2)c1C |
InChI=1S/C17H25N3O/c1-4-7-15-8-5-6-9-17(15)18-12-16-13(2)19-20(10-11-21)14(16)3/h5-6,8-9,18,21H,4,7,10-12H2,1-3H3 | CCCc1ccccc1NCc1c(C)nn(CCO)c1C |
InChI=1S/C18H25N3OS/c1-4-18-20-15(12-23-18)9-19-16-7-5-6-8-17(16)21-10-13(2)22-14(3)11-21/h5-8,12-14,19H,4,9-11H2,1-3H3 | CCc1nc(CNc2ccccc2N2CC(C)OC(C)C2)cs1 |
InChI=1S/C15H19N3OS/c1-4-14-18-11(9-20-14)8-17-13-7-5-6-12(10(13)2)15(19)16-3/h5-7,9,17H,4,8H2,1-3H3,(H,16,19) | CCc1nc(CNc2cccc(C(=O)NC)c2C)cs1 |
InChI=1S/C17H17N3OS2/c1-11-14(16(21)18-2)4-3-5-15(11)19-8-13-10-23-17(20-13)12-6-7-22-9-12/h3-7,9-10,19H,8H2,1-2H3,(H,18,21) | CNC(=O)c1cccc(NCc2csc(-c3ccsc3)n2)c1C |
InChI=1S/C17H23N3OS/c1-11-13(15(21)18-5)7-6-8-14(11)19-9-12-10-22-16(20-12)17(2,3)4/h6-8,10,19H,9H2,1-5H3,(H,18,21) | CNC(=O)c1cccc(NCc2csc(C(C)(C)C)n2)c1C |
InChI=1S/C17H23N3OS/c1-5-16-19-14(10-22-16)9-18-15-8-13(7-6-12(15)4)20-17(21)11(2)3/h6-8,10-11,18H,5,9H2,1-4H3,(H,20,21) | CCc1nc(CNc2cc(NC(=O)C(C)C)ccc2C)cs1 |
InChI=1S/C19H28N4O2/c1-12(2)19(25)21-16-7-6-13(3)18(10-16)20-11-17-14(4)22-23(8-9-24)15(17)5/h6-7,10,12,20,24H,8-9,11H2,1-5H3,(H,21,25) | Cc1ccc(NC(=O)C(C)C)cc1NCc1c(C)nn(CCO)c1C |
InChI=1S/C16H21N3OS/c1-4-15(20)18-12-7-6-11(3)14(8-12)17-9-13-10-21-16(5-2)19-13/h6-8,10,17H,4-5,9H2,1-3H3,(H,18,20) | CCC(=O)Nc1ccc(C)c(NCc2csc(CC)n2)c1 |
InChI=1S/C17H21N3OS/c1-3-16-19-14(10-22-16)9-18-15-8-13(7-4-11(15)2)20-17(21)12-5-6-12/h4,7-8,10,12,18H,3,5-6,9H2,1-2H3,(H,20,21) | CCc1nc(CNc2cc(NC(=O)C3CC3)ccc2C)cs1 |
InChI=1S/C15H19N3OS/c1-4-15-18-13(9-20-15)8-16-14-7-12(17-11(3)19)6-5-10(14)2/h5-7,9,16H,4,8H2,1-3H3,(H,17,19) | CCc1nc(CNc2cc(NC(C)=O)ccc2C)cs1 |
InChI=1S/C17H17N3OS2/c1-11-3-4-14(19-12(2)21)7-16(11)18-8-15-10-23-17(20-15)13-5-6-22-9-13/h3-7,9-10,18H,8H2,1-2H3,(H,19,21) | CC(=O)Nc1ccc(C)c(NCc2csc(-c3ccsc3)n2)c1 |
InChI=1S/C17H23N3OS/c1-11-6-7-13(19-12(2)21)8-15(11)18-9-14-10-22-16(20-14)17(3,4)5/h6-8,10,18H,9H2,1-5H3,(H,19,21) | CC(=O)Nc1ccc(C)c(NCc2csc(C(C)(C)C)n2)c1 |
InChI=1S/C21H28N2O2/c1-6-23(17(4)24)14-19-9-7-8-10-20(19)22-13-18-11-15(2)21(25-5)16(3)12-18/h7-12,22H,6,13-14H2,1-5H3 | CCN(Cc1ccccc1NCc1cc(C)c(OC)c(C)c1)C(C)=O |
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