Molecule ID: mol2773
SMILES: CC#CCn1c(N2CCNCC2)c(C#N)c2ncn(CC(=O)c3cccc(OC)c3)c(=O)c21
InChI: InChI=1S/C24H24N6O3/c1-3-4-10-30-22-21(19(14-25)23(30)28-11-8-26-9-12-28)27-16-29(24(22)32)15-20(31)17-6-5-7-18(13-17)33-2/h5-7,13,16,26H,8-12,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | Novartis | 1 » 0 |