aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42781 | 1.53 | 288.31 | C12H10O2N5S | CS(=O)(=O)c1ccccc1Nc1ncnc2c1N=C[N]2 |
|
AD42782 | 2.81 | 346.17 | C13H10ON6Br | CC(=O)Nc1ccccc1Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42783 | 1.53 | 288.31 | C12H10O2N5S | CS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42784 | 2.64 | 326.12 | C10H9N5I | Ic1nc2c(c(N=C3CCCC3)n1)N=C[N]2 |
|
AD42785 | 2.61 | 309.35 | C16H17ON6 | CCN(CC)C(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42786 | 2.37 | 307.34 | C16H15ON6 | O=C(c1ccc(Nc2ncnc3c2N=C[N]3)cc1)N1CCCC1 |
|
AD42787 | 2.81 | 346.17 | C13H10ON6Br | CC(=O)Nc1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42788 | 1.95 | 332.14 | C12H8ON6Br | NC(=O)c1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42789 | 2.55 | 360.19 | C14H12ON6Br | CN(C)C(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42790 | 3.27 | 341.42 | C16H17ON6S | CCN(CC)C(=O)c1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc1 |