aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43661 | 2.21 | 329.37 | C14H13O2N6S | COc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)c(OC)c1 |
|
AD43662 | 2.87 | 363.81 | C15H12O2N6ClS | COc1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)c(OC)c1 |
|
AD43663 | 2.52 | 328.38 | C15H14O2N5S | COc1ccc(NC(=S)Nc2ncnc3c2C=C[N]3)c(OC)c1 |
|
AD43664 | 2.87 | 363.81 | C15H12O2N6ClS | COc1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1OC |
|
AD43665 | 2.78 | 319.32 | C13H9N6F2S | Cc1cc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)ccc1F |
|
AD43666 | 2.21 | 329.37 | C14H13O2N6S | COc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1OC |
|
AD43667 | 2.64 | 301.33 | C13H10N6FS | Cc1cc(NC(=S)Nc2ncnc3c2N=C[N]3)ccc1F |
|
AD43668 | 2.52 | 328.38 | C15H14O2N5S | COc1ccc(NC(=S)Nc2ncnc3c2C=C[N]3)cc1OC |
|
AD43669 | 2.76 | 297.37 | C14H13N6S | CCc1ccccc1NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD43670 | 2.52 | 344.42 | C16H18O2N5S | CC(C)(C)NS(=O)(=O)c1cccc(Nc2ncnc3c2C=C[N]3)c1 |