Molecule ID: mol17225
SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1
InChI: InChI=1S/C33H42N4O2/c1-23-34-28-12-8-9-13-29(28)37(23)27-20-25-14-15-26(21-27)36(25)22-30(38)33(24-10-6-5-7-11-24)16-18-35(19-17-33)31(39)32(2,3)4/h5-13,25-27H,14-22H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.37 | Baltruschat ChEMBL | 2 » 1 |