Molecule ID: mol19631
SMILES: Cn1c(=O)c2c(nc3n(CCCN4CCN(c5cccc(Cl)c5)CC4)c(-c4ccccc4)cn23)n(C)c1=O
InChI: InChI=1S/C28H30ClN7O2/c1-31-25-24(26(37)32(2)28(31)38)36-19-23(20-8-4-3-5-9-20)35(27(36)30-25)13-7-12-33-14-16-34(17-15-33)22-11-6-10-21(29)18-22/h3-6,8-11,18-19H,7,12-17H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.61 | OCHEM | 1 » 0 |
| 10.61 | Baltruschat ChEMBL | 1 » 0 |