Molecule ID: mol20688
SMILES: Cc1nc(C)n2c1CN(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2=O
InChI: InChI=1S/C25H27ClN4O4S/c1-16-23-15-29(25(32)30(23)17(2)27-16)21-7-10-28(11-8-21)24(31)9-12-35(33,34)22-6-4-18-13-20(26)5-3-19(18)14-22/h3-6,13-14,21H,7-12,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.40 | Baltruschat ChEMBL | 1 » 0 |