Molecule ID: mol19864
SMILES: Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1
InChI: InChI=1S/C22H28N4O/c1-16-7-6-13-26(16)19-12-14-25(15-19)21-11-10-20(17(2)23-21)24-22(27)18-8-4-3-5-9-18/h3-5,8-11,16,19H,6-7,12-15H2,1-2H3,(H,24,27)/t16-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Baltruschat ChEMBL | 1 » 0 |