Molecule ID: mol19633
SMILES: Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(-c4ccccc4)cn23)n(C)c1=O
InChI: InChI=1S/C28H31N7O2/c1-30-25-24(26(36)31(2)28(30)37)35-20-23(21-10-5-3-6-11-21)34(27(35)29-25)15-9-14-32-16-18-33(19-17-32)22-12-7-4-8-13-22/h3-8,10-13,20H,9,14-19H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.79 | OCHEM | 1 » 0 |
| 8.79 | Baltruschat ChEMBL | 1 » 0 |