Molecule ID: mol19862
SMILES: Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc2ccccc12
InChI: InChI=1S/C26H30N4O/c1-18-7-6-15-30(18)21-14-16-29(17-21)25-13-12-24(19(2)27-25)28-26(31)23-11-5-9-20-8-3-4-10-22(20)23/h3-5,8-13,18,21H,6-7,14-17H2,1-2H3,(H,28,31)/t18-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Baltruschat ChEMBL | 1 » 0 |