Molecule ID: mol2830

SMILES: CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OC1CC(C)(C)NC(C)(C)C1

InChI: InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.20 Novartis 1 » 0
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Charge States and Microspecies Visualization