Molecule ID: mol17173
SMILES: Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
InChI: InChI=1S/C18H24N6O3S/c1-10-5-11(2)22-16(6-10)24-14-7-12(8-21-17(14)18(20)25)23-15-9-28(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | Baltruschat ChEMBL | 1 » 0 |