aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42841 | 1.04 | 303.33 | C12H11O2N6S | CNS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42842 | 2.88 | 327.39 | C15H15ON6S | CCN(C)C(=O)c1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc1 |
|
AD42843 | 2.87 | 329.77 | C16H14ON6Cl | CCN(C)C(=O)c1ccc(Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD42844 | 1.41 | 345.58 | C12H10O2N4ClBr | O=C(NCCO)c1cc(Br)nn1-c1ncccc1Cl |
|
AD42845 | 1.9 | 366.14 | C12H9ON5I | Cn1cc(Nc2ncnc3c2C(I)=C[N]3)ccc1=O |
|
AD42846 | 1.99 | 337.1 | C10H6N6I | IC1=C[N]c2ncnc(Nc3cncnc3)c21 |
|
AD42847 | 2.25 | 353.15 | C11H10N6I | Cc1nn(C)cc1Nc1ncnc2c1C(I)=C[N]2 |
|
AD42848 | 1.87 | 322.37 | C18H18O2N4 | Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCO |
|
AD42849 | 2.49 | 360.19 | C14H12ON6Br | CC(=O)NCc1cccc(Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD42850 | 2.25 | 353.15 | C11H10N6I | Cc1c(Nc2ncnc3c2C(I)=C[N]3)cnn1C |