Molecule ID: mol16135
SMILES: Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1
InChI: InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Baltruschat ChEMBL | 1 » 0 |