Molecule ID: mol20375
SMILES: Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(C)(C)C)CC3)cc2)c2ccccc2n1
InChI: InChI=1S/C29H36N4O4/c1-20-17-22(24-7-5-6-8-25(24)30-20)19-37-23-11-9-21(10-12-23)27(35)31-29(18-26(34)32-36)13-15-33(16-14-29)28(2,3)4/h5-12,17,36H,13-16,18-19H2,1-4H3,(H,31,35)(H,32,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Baltruschat ChEMBL | 1 » 0 |