aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43701 | 2.79 | 332.14 | C12H8ON6Br | O=C(Nc1ccccc1Br)Nc1ncnc2c1N=C[N]2 |
|
AD43702 | 2.75 | 332.14 | C12H8ON6Br | O=C(Nc1ccccc1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43703 | 2.93 | 350.13 | C12H7ON6FBr | O=C(Nc1ccccc1Br)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43704 | 2.89 | 350.13 | C12H7ON6FBr | O=C(Nc1ccccc1F)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43705 | 2.76 | 362.17 | C13H10O2N6Br | COc1ccccc1NC(=O)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD43706 | 2.43 | 297.3 | C14H13O2N6 | CCOc1ccccc1NC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD43707 | 2.69 | 317.72 | C14H10O2N6Cl | COc1ccccc1NC(=O)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43708 | 1.19 | 166.18 | C8H10O2N2 | COc1ccccc1NC(N)=O |
|
AD43709 | 2.76 | 362.17 | C13H10O2N6Br | COc1cccc(NC(=O)Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD43710 | 2.69 | 317.72 | C14H10O2N6Cl | COc1cccc(NC(=O)Nc2nc(Cl)nc3c2N=C[N]3)c1 |