aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42821 | 2.92 | 329.77 | C16H14ON6Cl | CC(C)NC(=O)c1cccc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD42822 | 2.54 | 353.15 | C11H10N6I | Cc1n[nH]c(C)c1Nc1ncnc2c1C(I)=C[N]2 |
|
AD42823 | 2.92 | 318.4 | C16H18O3N2S | O=S(=O)(c1ccc(Nc2ccc(O)cc2)cc1)N1CCCC1 |
|
AD42824 | 0.78 | 289.3 | C11H9O2N6S | NS(=O)(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42825 | 2.49 | 360.19 | C14H12ON6Br | CC(=O)NCc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42826 | 0.78 | 289.3 | C11H9O2N6S | NS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42827 | 2.22 | 342.4 | C16H16O2N5S | O=S(=O)(c1ccc(Nc2ncnc3c2C=C[N]3)cc1)N1CCCC1 |
|
AD42828 | 2.61 | 366.14 | C12H9ON5I | COc1cc(Nc2ncnc3c2C(I)=C[N]3)ccn1 |
|
AD42829 | 1.38 | 317.35 | C13H13O2N6S | CN(C)S(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42830 | 2.97 | 308.43 | C14H16O2N2S2 | CN(C)S(=O)(=O)c1ccc(Nc2ccc(S)cc2)cc1 |