Molecule ID: mol20846
SMILES: COc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1
InChI: InChI=1S/C17H21ClN4O2/c1-9-7-14(24-4)19-10(2)15(9)21-16-17(23)22(8-13(18)20-16)11(3)12-5-6-12/h7-8,11-12H,5-6H2,1-4H3,(H,20,21)/t11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | Baltruschat ChEMBL | 1 » 0 |