Molecule ID: mol19037
SMILES: C=CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21
InChI: InChI=1S/C26H28N4O/c1-6-13-29-20(5)19(4)21-15-23(30-14-8-7-12-24(30)31)28-26(25(21)29)27-16-22-17(2)10-9-11-18(22)3/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 1 » 0 |