Molecule ID: mol19640
SMILES: COc1ccccc1N1CCN(CCCn2ccn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1
InChI: InChI=1S/C23H29N7O3/c1-25-20-19(21(31)26(2)23(25)32)30-16-15-29(22(30)24-20)10-6-9-27-11-13-28(14-12-27)17-7-4-5-8-18(17)33-3/h4-5,7-8,15-16H,6,9-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Baltruschat ChEMBL | 1 » 0 |