Molecule ID: mol19479
SMILES: CNC(=O)c1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2nc(C)c(C)n2c1
InChI: InChI=1S/C20H22N4O2/c1-11-12(2)24-10-14(20(26)21-3)8-16(19(24)22-11)23-18-15-7-5-4-6-13(15)9-17(18)25/h4-8,10,17-18,23,25H,9H2,1-3H3,(H,21,26)/t17-,18-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | Baltruschat ChEMBL | 1 » 0 |