aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43491 | 2.67 | 335.78 | C14H9N6FClS | Fc1nc2c(c(NC(=S)NCc3ccc(Cl)cc3)n1)N=C[N]2 |
|
AD43492 | 2.53 | 317.79 | C14H10N6ClS | S=C(NCc1ccc(Cl)cc1)Nc1ncnc2c1N=C[N]2 |
|
AD43493 | 2.98 | 318.42 | C18H26O3N2 | CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(N)=O)cc2)CC1 |
|
AD43494 | 2.61 | 299.3 | C13H11O3NF2S | O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(O)cc1 |
|
AD43495 | 2.33 | 287.3 | C12H8N6FS | Fc1cccc(NC(=S)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43496 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1cnn(-c2cccnc2)c1 |
|
AD43497 | 0.38 | 234.24 | C10H12O2N5 | COC(=O)C(C)N(C)c1ncnc2c1N=C[N]2 |
|
AD43498 | 3.15 | 305.33 | C15H12O3NFS | COC(=O)c1cccc(C(=O)Nc2ccc(S)cc2)c1F |
|
AD43499 | 2.65 | 304.37 | C15H16O3N2S | COCCOc1ncccc1C(=O)Nc1ccc(S)cc1 |
|
AD43500 | 2.72 | 295.33 | C15H15ON6 | CC(C)C(=O)Nc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |