aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42791 | 2.79 | 331.15 | C13H9ON5Br | BrC1=Nc2c(ncnc2Nc2ccc3c(c2)CCO3)[N]1 |
|
AD42792 | 1.95 | 332.14 | C12H8ON6Br | NC(=O)c1ccccc1Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42793 | 1.95 | 332.14 | C12H8ON6Br | NC(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42794 | 1.53 | 288.31 | C12H10O2N5S | CS(=O)(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42795 | 2.61 | 366.14 | C12H9ON5I | COc1ncccc1Nc1ncnc2c1C(I)=C[N]2 |
|
AD42796 | 2.44 | 351.13 | C11H8N6I | Cc1ccncc1Nc1nc(I)nc2c1N=C[N]2 |
|
AD42797 | 2.76 | 321.36 | C17H17ON6 | O=C(c1ccc(Nc2ncnc3c2N=C[N]3)cc1)N1CCCCC1 |
|
AD42798 | 2.61 | 366.14 | C12H9ON5I | COc1cncc(Nc2ncnc3c2C(I)=C[N]3)c1 |
|
AD42799 | 2.55 | 360.19 | C14H12ON6Br | CN(C)C(=O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42800 | 2.52 | 309.35 | C16H17ON6 | CC(C)CNC(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |