aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42741 | 2.89 | 317.33 | C13H10ON6FS | CSc1ccc(NC(=O)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD42742 | 2.75 | 299.34 | C13H11ON6S | CSc1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD42743 | 2.02 | 336.13 | C11H8O2N6Br | O=C(NCc1ccco1)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42744 | 2.5 | 340.1 | C10H7ON5I | Cc1nocc1Nc1ncnc2c1C(I)=C[N]2 |
|
AD42745 | 0.45 | 140.14 | C6H8O2N2 | NC(=O)NCc1ccco1 |
|
AD42746 | 1.9 | 315.38 | C14H15ON6S | CC(C)(C)c1ccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)s1 |
|
AD42747 | 2.79 | 329.77 | C16H14ON6Cl | Cc1cc(C(=O)N(C)C)ccc1Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD42748 | 2.8 | 327.39 | C15H15ON6S | Cc1cc(C(=O)N(C)C)ccc1Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD42749 | 2.14 | 295.33 | C15H15ON6 | Cc1cc(C(=O)N(C)C)ccc1Nc1ncnc2c1N=C[N]2 |
|
AD42750 | 1.39 | 330.0 | C6H6O2N2SBr2 | O=C(NCCO)c1sc(Br)nc1Br |