aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40151 | 1.48 | 295.28 | C14H11O2N6 | CN1C(=O)COc2ccc(Nc3ncnc4c3N=C[N]4)cc21 |
|
AD40152 | 1.44 | 303.35 | C14H19O2N6 | CN(c1ncnc2c1N=C[N]2)C1CN(C(=O)OC(C)(C)C)C1 |
|
AD40153 | 1.51 | 292.39 | C13H18ON5S | CCC1(CC)CN(c2ncnc3c2N=C[N]3)CCS1=O |
|
AD40154 | -2.13 | 100.14 | C4H10N3 | CC=C(N)[NH+]=CN |
|
AD40155 | 0.33 | 308.39 | C17H20N6 | C1=Nc2c(ncnc2N2CC[NH+](CCc3ccccc3)CC2)[N]1 |
|
AD40156 | 0.27 | 304.4 | C15H24ON6 | CC(C)OCC[NH+]1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD40157 | 1.52 | 259.29 | C13H18N2F3 | FC(F)(F)c1ccc(C[NH2+]C2CCNCC2)cc1 |
|
AD40158 | 2.07 | 260.36 | C15H22ON3 | COc1cc(NC(C)CCC[NH3+])c2ncccc2c1 |
|
AD40159 | 1.17 | 268.38 | C17H22N3 | Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 |
|
AD40160 | 1.77 | 266.37 | C17H20N3 | c1cncc(-c2cccc3c2C2(CC[NH2+]CC2)CN3)c1 |