Molecule ID: mol17299
SMILES: Cc1nc2ccccc2n1C1CC2COCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1
InChI: InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23?,24?,25?,26-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | Baltruschat ChEMBL | 2 » 1 |