Molecule ID: mol19298
SMILES: CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCN1CCN(C)CC1
InChI: InChI=1S/C42H50ClN7O5/c1-4-54-35-25-32(13-10-28(35)12-15-36(51)55-23-22-50-20-18-48(2)19-21-50)46-41(53)42(16-7-17-42)47-40(52)30-11-14-33-34(24-30)49(3)38(37(33)29-8-5-6-9-29)39-44-26-31(43)27-45-39/h10-15,24-27,29H,4-9,16-23H2,1-3H3,(H,46,53)(H,47,52)/b15-12+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |