Molecule ID: mol18540
SMILES: COc1ccc(CNC(=O)N2[C@H](C)CN(CCC(C)C)c3cnccc3[C@@H]2C)cc1
InChI: InChI=1S/C24H34N4O2/c1-17(2)11-13-27-16-18(3)28(19(4)22-10-12-25-15-23(22)27)24(29)26-14-20-6-8-21(30-5)9-7-20/h6-10,12,15,17-19H,11,13-14,16H2,1-5H3,(H,26,29)/t18-,19+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | Baltruschat ChEMBL | 1 » 0 |