Molecule ID: mol19856
SMILES: Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1
InChI: InChI=1S/C22H31N5O/c1-15-12-18(26-11-9-19(14-26)27-10-5-6-16(27)2)7-8-20(15)23-22(28)21-13-17(3)25(4)24-21/h7-8,12-13,16,19H,5-6,9-11,14H2,1-4H3,(H,23,28)/t16-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | Baltruschat ChEMBL | 1 » 0 |