aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43451 | 2.63 | 361.79 | C15H10O2N6ClS | COC(=O)c1ccc(NC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD43452 | 1.98 | 327.35 | C14H11O2N6S | COC(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43453 | 2.12 | 345.34 | C14H10O2N6FS | COC(=O)c1ccc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD43454 | 2.29 | 326.36 | C15H12O2N5S | COC(=O)c1ccc(NC(=S)Nc2ncnc3c2C=C[N]3)cc1 |
|
AD43455 | 2.59 | 344.35 | C15H11O2N5FS | COC(=O)c1ccc(NC(=S)Nc2ncnc3c2C(F)=C[N]3)cc1 |
|
AD43456 | 3.1 | 295.37 | C16H13ON3S | O=C(Cc1ccc2nccnc2c1)Nc1ccc(S)cc1 |
|
AD43457 | 2.53 | 317.79 | C14H10N6ClS | S=C(NCc1ccccc1Cl)Nc1ncnc2c1N=C[N]2 |
|
AD43458 | 2.67 | 335.78 | C14H9N6FClS | Fc1nc2c(c(NC(=S)NCc3ccccc3Cl)n1)N=C[N]2 |
|
AD43459 | 3.17 | 334.44 | C17H22O3N2S | CC(C)(C)OC(=O)N1CC2CC2C1C(=O)Nc1ccc(S)cc1 |
|
AD43460 | 1.96 | 314.43 | C16H30O4N2 | CC(C)(C)OC(=O)NCC1(CC(=O)NCCO)CCCCC1 |