aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22061 | 3.41 | 292.37 | C16H12N4S | Cc1nc2sc3c(c2c2ncnn12)-c1ccccc1CC3 |
|
AD22062 | 1.82 | 200.14 | C8H5N3F3 | Nc1ccnc2c1C(C(F)(F)F)=C[N]2 |
|
AD22063 | 1.31 | 807.0 | C40H66O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD22064 | 2.85 | 479.46 | C22H24O4N5F3 | CC1OC(O)CC(C)(NCc2ccc(NC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)nc2)C1O |
|
AD22065 | 3.1 | 1572.54 | C75H88O21N12Cl2S | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC4SCC5NC(=O)NC54)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD22066 | 5.38 | 1489.72 | C72H112O25N8 | CC(C)CC1OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC2CCCCC2)OC(=O)C(C(C)OC(=O)CCCN(C)C(=O)OCc2ccc(O)c([N+](=O)[O-])c2)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC1=O |
|
AD22067 | 3.74 | 506.39 | C21H23O6N2F4P | COP(=O)(NC(C)C(=O)OCc1ccc(F)cc1F)NC(C)C(=O)OCc1ccc(F)cc1F |
|
AD22068 | 4.27 | 332.43 | C20H22N5 | Cc1cc(C)cc(-c2nc3c(c(NC4CC5CCC4C5)n2)N=C[N]3)c1 |
|
AD22069 | 1.81 | 214.06 | C8H8ONBr | CNC(=O)c1ccccc1Br |
|
AD22070 | 2.38 | 314.39 | C18H22O3N2 | CCC(=O)NC(Cc1ccccc1)C(=O)N(C)Cc1ccco1 |