Molecule ID: mol20498
SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | OCHEM | 2 » 1 |
| 7.60 | OCHEM | 1 » 0 |
| 8.07 | Baltruschat ChEMBL | 1 » 0 |