aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43441 | 2.67 | 335.78 | C14H9N6FClS | Fc1ccc(CNC(=S)Nc2nc(Cl)nc3c2N=C[N]3)cc1 |
|
AD43442 | 2.15 | 319.32 | C13H9N6F2S | Fc1ccc(CNC(=S)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD43443 | 2.54 | 329.34 | C14H10ON6FS | CC(=O)c1ccc(NC(=S)Nc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD43444 | 1.3 | 316.38 | C13H20O5N2S | CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)NCCO)cc1 |
|
AD43445 | 2.81 | 306.43 | C16H22O2N2S | CC(C)C(=O)N1CCC(C(=O)Nc2ccc(S)cc2)CC1 |
|
AD43446 | 2.4 | 311.35 | C14H11ON6S | CC(=O)c1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD43447 | 1.49 | 315.32 | C15H19O4NF2 | O=C(NCCO)c1cc(F)c(OCC2CCOCC2)c(F)c1 |
|
AD43448 | 2.49 | 337.42 | C15H15O4NS2 | CS(=O)(=O)Oc1ccc(CC(=O)Nc2ccc(S)cc2)cc1 |
|
AD43449 | 3.22 | 299.4 | C16H17ON3S | O=C(Nc1ccc(S)cc1)c1cccc(N2CCCC2)n1 |
|
AD43450 | 2.86 | 290.36 | C16H22O3N2 | CC(C)(C)OC(=O)N1CCCC1c1cccc(C(N)=O)c1 |