Molecule ID: mol18775
SMILES: Cc1cc2cn[nH]c2cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O
InChI: InChI=1S/C24H25N5O4S/c1-16-10-20-13-26-27-22(20)11-19(16)12-25-23(30)14-29-17(2)8-9-21(24(29)31)28-34(32,33)15-18-6-4-3-5-7-18/h3-11,13,28H,12,14-15H2,1-2H3,(H,25,30)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | Baltruschat ChEMBL | 1 » 0 |