Molecule ID: mol19034
SMILES: CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21
InChI: InChI=1S/C25H28N4O/c1-6-28-19(5)18(4)20-14-22(29-13-8-7-12-23(29)30)27-25(24(20)28)26-15-21-16(2)10-9-11-17(21)3/h7-14H,6,15H2,1-5H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 1 » 0 |