Molecule ID: mol18187
SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(C#N)cc2)nc(SCc2ccccc2)n1
InChI: InChI=1S/C21H21N5O3S2/c1-15(13-27)23-19-11-20(25-21(24-19)30-14-17-5-3-2-4-6-17)26-31(28,29)18-9-7-16(12-22)8-10-18/h2-11,15,27H,13-14H2,1H3,(H2,23,24,25,26)/t15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | Baltruschat ChEMBL | 0 » -1 |