Molecule ID: mol20300
SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=N[C@@H]1C
InChI: InChI=1S/C21H29N7O2/c1-14-10-25-19(23-9-8-16-6-4-3-5-7-16)20(30)28(14)13-18(29)24-11-17-12-26-21(22)27-15(17)2/h3-7,10,15,17H,8-9,11-13H2,1-2H3,(H,23,25)(H,24,29)(H3,22,26,27)/t15-,17-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.00 | Baltruschat ChEMBL | -1 » -2 |