Molecule ID: mol20305
SMILES: COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3OC)c2=O)c1
InChI: InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Baltruschat ChEMBL | -1 » -2 |