Molecule ID: mol20244
SMILES: Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C[C@H](O)CO)CC2
InChI: InChI=1S/C26H30N4O4/c1-16(2)33-24-7-5-19(12-20(24)13-27)26-28-25(29-34-26)23-6-4-18-8-10-30(14-21(32)15-31)11-9-22(18)17(23)3/h4-7,12,16,21,31-32H,8-11,14-15H2,1-3H3/t21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |