Molecule ID: mol18787
SMILES: COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1
InChI: InChI=1S/C24H26N6O3/c1-16-12-27-23(25-10-9-17-3-6-19(33-2)7-4-17)24(32)30(16)14-22(31)26-13-18-5-8-20-21(11-18)29-15-28-20/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,25,27)(H,26,31)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.80 | OCHEM | 1 » 0 |
| 5.80 | Baltruschat ChEMBL | 1 » 0 |