General Information of the Compound
| Compound ID |
CP0752501
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| Compound Name |
[5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)pyridin-3-yl]acetic Acid Dihydrochloride
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| Structure |
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| Formula |
C21H30Cl2N2O2
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| Molecular Weight |
413.389
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| Canonical SMILES |
Cc1ccc(-c2c(CC(=O)O)c(C)nc(CC(C)(C)C)c2CN)cc1.Cl.Cl
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| InChI |
InChI=1S/C21H28N2O2.2ClH/c1-13-6-8-15(9-7-13)20-16(10-19(24)25)14(2)23-18(17(20)12-22)11-21(3,4)5;;/h6-9H,10-12,22H2,1-5H3,(H,24,25);2*1H
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| InChIKey |
UNEFSRHGMHGLAS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9