aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41451 | 1.56 | 288.33 | C13H12O2N4S | Cc1cc2c(N)ncnc2n1S(=O)(=O)c1ccccc1 |
|
AD41452 | 1.98 | 304.42 | C15H20ON4S | Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 |
|
AD41453 | 2.57 | 334.44 | C16H22O2N4S | CCOC(=O)c1sc2[nH]c(CN3CCCCC3)nc(=N)c2c1C |
|
AD41454 | 1.9 | 308.75 | C13H9O2N4ClS | Nc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1 |
|
AD41455 | 1.62 | 296.37 | C17H20ON4 | Nc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 |
|
AD41456 | 2.21 | 322.78 | C14H11O2N4ClS | Cc1ccc(S(=O)(=O)n2ccc3c(N)nc(Cl)nc32)cc1 |
|
AD41457 | 1.64 | 331.35 | C15H13O4N3S | COC(=O)c1cc2ccc(N)nc2n1S(=O)(=O)c1ccccc1 |
|
AD41458 | -0.07 | 219.23 | C9H11ON6 | CNC(=O)C(C)Nc1ncnc2c1N=C[N]2 |
|
AD41459 | -0.09 | 149.15 | C7H7ON3 | Nc1nccc2c1C(=O)NC2 |
|
AD41460 | -0.84 | 138.13 | C5H6ON4 | NC(=O)c1ccc(N)nn1 |