Molecule ID: mol19295
SMILES: CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCN(C)C
InChI: InChI=1S/C39H45ClN6O5/c1-5-50-32-22-29(14-11-25(32)13-16-33(47)51-20-19-45(2)3)43-38(49)39(17-8-18-39)44-37(48)27-12-15-30-31(21-27)46(4)35(34(30)26-9-6-7-10-26)36-41-23-28(40)24-42-36/h11-16,21-24,26H,5-10,17-20H2,1-4H3,(H,43,49)(H,44,48)/b16-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |