Molecule ID: mol20255
SMILES: Cc1c(-c2nnc(-c3ccc(OC(C)C)c(C#N)c3)s2)ccc2c1CCN(C(CO)CO)C2
InChI: InChI=1S/C25H28N4O3S/c1-15(2)32-23-7-5-17(10-19(23)11-26)24-27-28-25(33-24)22-6-4-18-12-29(20(13-30)14-31)9-8-21(18)16(22)3/h4-7,10,15,20,30-31H,8-9,12-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 1 » 0 |