aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35831 | 2.61 | 249.26 | C13H9N6 | C1=Nc2c(ncnc2Nc2ccc3cc[nH]c3c2)[N]1 |
|
AD35832 | 2.44 | 242.24 | C12H9N5F | Cc1cncc(Nc2ncnc3c2C(F)=C[N]3)c1 |
|
AD35833 | 2.5 | 257.3 | C11H9N6S | Cc1cncc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1 |
|
AD35834 | 2.49 | 259.68 | C12H8N6Cl | Cc1cncc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD35835 | 2.76 | 219.31 | C11H13N3S | Cc1cc(Nc2ccc(S)cc2)n(C)n1 |
|
AD35836 | 3.45 | 229.28 | C14H15O2N | COc1ccc(Nc2ccc(O)cc2)cc1C |
|
AD35837 | 1.17 | 228.24 | C10H10N7 | Cc1cc(Nc2ncnc3c2N=C[N]3)n(C)n1 |
|
AD35838 | 2.45 | 254.27 | C13H12ON5 | COc1ccc(Nc2ncnc3c2N=C[N]3)cc1C |
|
AD35839 | 2.58 | 242.24 | C12H9N5F | Cc1ccc(F)cc1Nc1ncnc2c1N=C[N]2 |
|
AD35840 | 2.49 | 260.66 | C12H7ON5Cl | Oc1cccc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |