aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD33331 | 1.83 | 225.24 | C11H9N6 | Cc1cncc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD33332 | 2.14 | 224.25 | C12H10N5 | Cc1cncc(Nc2ncnc3c2C=C[N]3)c1 |
|
AD33333 | 2.02 | 239.26 | C12H11N6 | Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1N |
|
AD33334 | 2.33 | 238.27 | C13H12N5 | Cc1ccc(Nc2ncnc3c2C=C[N]3)cc1N |
|
AD33335 | 1.84 | 226.22 | C11H8ON5 | Oc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD33336 | 2.15 | 225.23 | C12H9ON4 | Oc1ccc(Nc2ncnc3c2C=C[N]3)cc1 |
|
AD33337 | 1.93 | 239.26 | C13H11ON4 | OCc1cccc(Nc2ncnc3c2C=C[N]3)c1 |
|
AD33338 | 2.66 | 234.26 | C11H13N5F | CC(C)(C)CC=Nc1nc(F)nc2c1N=C[N]2 |
|
AD33339 | 1.78 | 233.28 | C11H15ON5 | CC(C)(C)CC=Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD33340 | 1.65 | 232.27 | C11H14ON5 | CC(C)(C)C=CNc1[nH]c(=O)nc2c1N=C[N]2 |