aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42451 | 2.74 | 267.3 | C12H7N6S | C1=Nc2c(ncnc2Nc2ccc3scnc3c2)[N]1 |
|
AD42452 | 1.53 | 298.24 | C13H8O4N5 | O=C(O)c1cc(Nc2ncnc3c2N=C[N]3)cc(C(=O)O)c1 |
|
AD42453 | 2.79 | 274.69 | C13H9ON5Cl | COc1cc(Cl)cc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42454 | 2.02 | 264.24 | C11H11O2N5F | O=C(Nc1nc(F)nc2c1N=C[N]2)OC1CCCC1 |
|
AD42455 | 1.88 | 246.25 | C11H12O2N5 | O=C(Nc1ncnc2c1N=C[N]2)OC1CCCC1 |
|
AD42456 | 2.27 | 260.28 | C12H14O2N5 | O=C(Nc1ncnc2c1N=C[N]2)OC1CCCCC1 |
|
AD42457 | 2.41 | 278.27 | C12H13O2N5F | O=C(Nc1nc(F)nc2c1N=C[N]2)OC1CCCCC1 |
|
AD42458 | 1.87 | 252.23 | C10H11O2N5F | CCCCOC(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD42459 | 2.12 | 248.27 | C11H14O2N5 | CCCCCOC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42460 | 2.26 | 266.26 | C11H13O2N5F | CCCCCOC(=O)Nc1nc(F)nc2c1N=C[N]2 |