Molecule ID: mol19863
SMILES: Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Cc1ccccc1
InChI: InChI=1S/C23H30N4O/c1-17-7-6-13-27(17)20-12-14-26(16-20)22-11-10-21(18(2)24-22)25-23(28)15-19-8-4-3-5-9-19/h3-5,8-11,17,20H,6-7,12-16H2,1-2H3,(H,25,28)/t17-,20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Baltruschat ChEMBL | 1 » 0 |