Molecule ID: mol17715
SMILES: NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)CC1
InChI: InChI=1S/C28H32N4O2/c29-28(11-12-28)26(34)31-24(17-20-18-30-23-8-4-2-6-21(20)23)25(33)32-15-13-27(14-16-32)10-9-19-5-1-3-7-22(19)27/h1-8,18,24,30H,9-17,29H2,(H,31,34)/t24-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | Baltruschat ChEMBL | 1 » 0 |