Molecule ID: mol17742
SMILES: CN(Cc1ccc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)cc1)CC1(C)COC1
InChI: InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |