aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43341 | 2.9 | 328.38 | C15H14O2N5S | CCOC(=O)Cc1ccc(Nc2[nH]c(=S)nc3c2N=C[N]3)cc1 |
|
AD43342 | 2.14 | 348.44 | C19H28O4N2 | CC(C)(C)OC(=O)N1CCC(C(=O)NCCO)C(c2ccccc2)C1 |
|
AD43343 | 2.34 | 360.14 | C10H11O2N5I | CCC(C)OC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD43344 | 2.81 | 359.15 | C11H12O2N4I | CCC(C)OC(=O)Nc1ncnc2c1C(I)=C[N]2 |
|
AD43345 | 2.89 | 330.76 | C16H13O2N5Cl | CCOC(=O)Cc1cccc(Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD43346 | 2.24 | 296.31 | C15H14O2N5 | CCOC(=O)Cc1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD43347 | 2.97 | 348.43 | C14H14O2N5S2 | CC(C)c1cccc(S(=O)(=O)Nc2[nH]c(=S)nc3c2N=C[N]3)c1 |
|
AD43348 | 2.9 | 328.38 | C15H14O2N5S | CCOC(=O)Cc1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1 |
|
AD43349 | 2.63 | 307.4 | C14H13O3NS2 | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S)cc2)cc1 |
|
AD43350 | 3.32 | 291.37 | C15H17O3NS | CC(C)c1cccc(S(=O)(=O)Nc2ccc(O)cc2)c1 |