aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42511 | 2.48 | 347.15 | C13H9O2N5Br | O=C(O)Cc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42512 | 2.86 | 347.15 | C13H9O2N5Br | Cc1ccc(C(=O)O)cc1Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42513 | 1.39 | 316.32 | C13H10O3N5S | CC(=O)c1cccc(S(=O)(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD42514 | 2.48 | 288.67 | C13H7O2N5Cl | O=C(O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Cl |
|
AD42515 | 2.55 | 333.12 | C12H7O2N5Br | O=C(O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42516 | 2.16 | 337.77 | C14H10O3N4ClS | COc1ccc(Cl)c(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c1 |
|
AD42517 | 0.67 | 152.15 | C7H8O2N2 | Cc1cc(N)cnc1C(=O)O |
|
AD42518 | 0.77 | 268.32 | C14H16N6 | C[NH+](C)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42519 | 2.61 | 339.15 | C10H5O2N5SBr | O=C(O)c1cc(Nc2ncnc3c2N=C(Br)[N]3)cs1 |
|
AD42520 | 2.45 | 302.33 | C11H8O2N2F2S2 | O=S(=O)(Nc1ccc(S)cc1)c1ncc(F)cc1F |