aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43391 | 2.12 | 345.34 | C14H10O2N6FS | COC(=O)c1cccc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)c1 |
|
AD43392 | 1.98 | 327.35 | C14H11O2N6S | COC(=O)c1cccc(NC(=S)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43393 | 2.59 | 344.35 | C15H11O2N5FS | COC(=O)c1cccc(NC(=S)Nc2ncnc3c2C(F)=C[N]3)c1 |
|
AD43394 | 2.92 | 291.15 | C13H11ON2Br | Cc1cc(C(N)=O)ccc1-c1cccc(Br)n1 |
|
AD43395 | 2.93 | 326.42 | C18H18O2N2S | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(S)cc1 |
|
AD43396 | 2.64 | 301.33 | C13H10N6FS | Cc1ccc(F)cc1NC(=S)Nc1ncnc2c1N=C[N]2 |
|
AD43397 | 2.97 | 308.43 | C14H16O2N2S2 | CN(C)S(=O)(=O)c1ccccc1Nc1ccc(S)cc1 |
|
AD43398 | 2.78 | 319.32 | C13H9N6F2S | Cc1ccc(F)cc1NC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43399 | 2.53 | 317.79 | C14H10N6ClS | S=C(NCc1cccc(Cl)c1)Nc1ncnc2c1N=C[N]2 |
|
AD43400 | 1.67 | 352.2 | C11H8ON6SBr | Cc1sc(Br)cc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |