Molecule ID: mol16487
SMILES: c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4cc5c(cc34)OCO5)CC2)cc1
InChI: InChI=1S/C30H33N7O2/c1-2-6-22(7-3-1)20-35-12-9-23(10-13-35)32-29-24-18-26-27(39-21-38-26)19-25(24)33-30(34-29)37-16-14-36(15-17-37)28-8-4-5-11-31-28/h1-8,11,18-19,23H,9-10,12-17,20-21H2,(H,32,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | Baltruschat ChEMBL | 1 » 0 |