Molecule ID: mol19283
SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NS(=O)(=O)c3ccccc3N2)cc1
InChI: InChI=1S/C30H27N5O2S/c1-4-27-33-28-19(2)17-20(3)31-30(28)35(27)18-21-13-15-22(16-14-21)23-9-5-6-10-24(23)29-32-25-11-7-8-12-26(25)38(36,37)34-29/h5-17H,4,18H2,1-3H3,(H,32,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | Baltruschat ChEMBL | 0 » -1 |