aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42401 | 1.53 | 336.4 | C18H20ON6 | CC(=O)N1CCN(c2ccc(Nc3[nH+]cnc4c3C=C[N]4)cc2)CC1 |
|
AD42402 | 2.82 | 341.17 | C14H9N6Br | BrC1=Nc2c(ncnc2Nc2cc[nH+]c3ccccc23)[N]1 |
|
AD42403 | 1.83 | 338.44 | C17H18N6S | S=c1nc2c(c(NC3=CCC[NH+](Cc4ccccc4)C3)[nH]1)N=C[N]2 |
|
AD42404 | 1.34 | 306.37 | C17H18N6 | C1=Nc2c(ncnc2N=C2CCC[NH+](Cc3ccccc3)C2)[N]1 |
|
AD42405 | 1.83 | 338.44 | C17H18N6S | S=c1nc2c(c(NC3=CC[NH+](Cc4ccccc4)CC3)[nH]1)N=C[N]2 |
|
AD42406 | -0.07 | 153.21 | C7H13N4 | CCN(C)c1cc(N)nc[nH+]1 |
|
AD42407 | 0.32 | 144.59 | C6H7N3Cl | Nc1cc(Cl)cc(N)[nH+]1 |
|
AD42408 | 0.04 | 152.18 | C7H10ON3 | CC(=O)Nc1cc[nH+]c(N)c1 |
|
AD42409 | -0.04 | 135.15 | C6H7N4 | Nc1[nH+]cnc2[nH]ccc12 |
|
AD42410 | 0.27 | 149.18 | C7H9N4 | Cc1c[nH]c2nc(N)[nH+]cc12 |