Molecule ID: mol16482
SMILES: CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3[nH]cnc3n2)CC1
InChI: InChI=1S/C23H32N8/c1-29-10-5-11-31(15-14-29)23-27-21-20(24-17-25-21)22(28-23)26-19-8-12-30(13-9-19)16-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H2,24,25,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | Baltruschat ChEMBL | 3 » 2 |