Molecule ID: mol2785

SMILES: CC(C)(C)Cn1c(CN2C(=O)CC3(CCNCC3)C2=O)cc2cnc(C#N)nc21

InChI: InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-24-16(10-22)25-18(14)27)12-26-17(28)9-21(19(26)29)4-6-23-7-5-21/h8,11,23H,4-7,9,12-13H2,1-3H3

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