aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43381 | 2.34 | 317.33 | C13H10ON6FS | COc1ccc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD43382 | 3.22 | 299.35 | C16H13O3NS | O=C(CC1OC(=O)c2ccccc21)Nc1ccc(S)cc1 |
|
AD43383 | 2.2 | 299.34 | C13H11ON6S | COc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43384 | 2.86 | 333.78 | C14H10ON6ClS | COc1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD43385 | 1.3 | 310.78 | C16H19O3N2Cl | O=C(NCCO)C1CCN(C(=O)c2ccccc2Cl)CC1 |
|
AD43386 | 2.27 | 335.37 | C16H11ON6S | N=c1nc2c(c(N)n1C(=O)c1sccc1-c1ccccc1)N=C[N]2 |
|
AD43387 | 3.22 | 296.3 | C13H10O2N2F2S | O=C(Nc1ccc(S)cc1)c1cccnc1OC(F)F |
|
AD43388 | 2.63 | 361.79 | C15H10O2N6ClS | COC(=O)c1cccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43389 | 2.29 | 326.36 | C15H12O2N5S | COC(=O)c1cccc(NC(=S)Nc2ncnc3c2C=C[N]3)c1 |
|
AD43390 | 2.33 | 287.3 | C12H8N6FS | Fc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2 |