Molecule ID: mol19691
SMILES: COc1cc2c(cc1OC)CN(c1nc(N3CCCN(C(=O)N4CC(O)C(O)C4)CC3)nc3cc(OC)c(OC)cc13)CC2
InChI: InChI=1S/C31H40N6O7/c1-41-25-12-19-6-9-36(16-20(19)13-26(25)42-2)29-21-14-27(43-3)28(44-4)15-22(21)32-30(33-29)34-7-5-8-35(11-10-34)31(40)37-17-23(38)24(39)18-37/h12-15,23-24,38-39H,5-11,16-18H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Baltruschat ChEMBL | 1 » 0 |