Molecule ID: mol20150

SMILES: COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CO5)[C@H](OC)C3)c2c1

InChI: InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(28-16)29-23(32)15-36-21/h3-6,11,13,19,22,26H,7-10,12,14-15H2,1-2H3,(H,28,29,32)/t19-,22-/m1/s1

Experimental Macro pKa Values

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