aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42761 | 2.74 | 366.14 | C12H9ON5I | COc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1 |
|
AD42762 | 2.87 | 354.11 | C11H6N5FI | Fc1ccc(Nc2nc(I)nc3c2N=C[N]3)cc1 |
|
AD42763 | 2.13 | 337.1 | C10H6N6I | Ic1nc2c(c(Nc3cccnc3)n1)N=C[N]2 |
|
AD42764 | 2.73 | 336.12 | C11H7N5I | Ic1nc2c(c(Nc3ccccc3)n1)N=C[N]2 |
|
AD42765 | 2.87 | 354.11 | C11H6N5FI | Fc1ccccc1Nc1nc(I)nc2c1N=C[N]2 |
|
AD42766 | 2.86 | 319.14 | C12H9ON5Br | COc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42767 | 3.39 | 309.19 | C12H9ON2SBr | O=C(Nc1ccc(S)cc1)c1ccnc(Br)c1 |
|
AD42768 | 2.86 | 319.14 | C12H9ON5Br | COc1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42769 | 2.52 | 324.32 | C16H14O3N5 | CCOC(=O)c1cccc(NC(=O)Nc2ncnc3c2C=C[N]3)c1 |
|
AD42770 | 2.86 | 319.14 | C12H9ON5Br | COc1ccccc1Nc1ncnc2c1N=C(Br)[N]2 |