aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35031 | 0.82 | 217.23 | C11H11O2N3 | COc1cccc(-n2nccc(N)c2=O)c1 |
|
AD35032 | 0.47 | 214.03 | C5H4N5Br | Nc1nc(Br)cn2ncnc12 |
|
AD35033 | 1.21 | 231.05 | C7H7O2N2Br | COC(=O)c1ncc(Br)cc1N |
|
AD35034 | 0.89 | 217.07 | C6H9N4Br | CN(C)c1ncc(Br)nc1N |
|
AD35035 | 1.07 | 213.04 | C6H5N4Br | Nc1nc2cc(Br)ccn2n1 |
|
AD35036 | 0.97 | 225.24 | C11H15O4N | COCOc1ccc(CC(=O)OC)cc1N |
|
AD35037 | 1.01 | 219.22 | C11H10ON3F | Nc1ccc(=O)n(Cc2ccc(F)cc2)n1 |
|
AD35038 | 1.11 | 222.29 | C12H18O2N2 | COc1cc(CN2CCOCC2)ccc1N |
|
AD35039 | 0.98 | 236.27 | C12H16O3N2 | CON(C)C(=O)C1CCc2cc(N)ccc2O1 |
|
AD35040 | -0.52 | 216.26 | C8H12O3N2S | CS(=O)(=O)CCn1cc(N)ccc1=O |