Molecule ID: mol19637
SMILES: COc1ccccc1N1CCN(CCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)CC1
InChI: InChI=1S/C24H31N7O3/c1-17-16-31-20-21(26(2)24(33)27(3)22(20)32)25-23(31)30(17)11-7-10-28-12-14-29(15-13-28)18-8-5-6-9-19(18)34-4/h5-6,8-9,16H,7,10-15H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.61 | OCHEM | 1 » 0 |
| 7.61 | Baltruschat ChEMBL | 1 » 0 |