Molecule ID: mol17724

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCC(C)(O)C5)cc4)C3)o2)cc1

InChI: InChI=1S/C25H28N4O5/c1-25(31)11-12-28(16-25)13-17-3-7-20(8-4-17)33-21-14-29(15-21)24(30)23-27-26-22(34-23)18-5-9-19(32-2)10-6-18/h3-10,21,31H,11-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.00 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization