aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42481 | 2.5 | 267.32 | C14H15N6 | Cc1cc(Nc2ncnc3c2N=C[N]3)ccc1N(C)C |
|
AD42482 | 2.09 | 239.26 | C12H11N6 | CCc1ncccc1Nc1ncnc2c1N=C[N]2 |
|
AD42483 | 2.74 | 267.3 | C12H7N6S | C1=Nc2c(ncnc2Nc2cnc3sccc3c2)[N]1 |
|
AD42484 | 0.88 | 318.29 | C12H8O4N5S | O=C(O)c1ccccc1S(=O)(=O)Nc1ncnc2c1N=C[N]2 |
|
AD42485 | 2.12 | 250.28 | C10H9N5FS | Fc1nc2c(c(N=C3CCSCC3)n1)N=C[N]2 |
|
AD42486 | 2.4 | 251.27 | C13H11N6 | C1=Nc2c(ncnc2Nc2ccc(C3CC3)nc2)[N]1 |
|
AD42487 | 1.19 | 332.32 | C13H10O4N5S | Cc1ccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)cc1C(=O)O |
|
AD42488 | 2.05 | 268.26 | C13H10O2N5 | CC(=O)Oc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42489 | 1.24 | 309.72 | C11H6O2N6ClS | O=S(=O)(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)nc1 |
|
AD42490 | 2.11 | 364.79 | C15H11O3N5ClS | CC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc3c2C=C[N]3)cc1Cl |