Molecule ID: mol2839
SMILES: COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1
InChI: InChI=1S/C26H31N5O3/c1-17-13-18(2)29-25(28-17)30-11-8-26(9-12-30)7-4-10-31(24(26)33)16-20-15-27-22-6-5-19(14-21(20)22)23(32)34-3/h5-6,13-15,27H,4,7-12,16H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Novartis | 1 » 0 |