General Information of the Compound
| Compound ID |
CP0721302
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| Compound Name |
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic Acid Dihydrochloride
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| Structure |
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| Formula |
C20H28Cl2N2O2
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| Molecular Weight |
399.362
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| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(C)c2C(=O)O)cc1.Cl.Cl
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| InChI |
InChI=1S/C20H26N2O2.2ClH/c1-12-6-8-14(9-7-12)18-15(11-21)16(10-20(3,4)5)22-13(2)17(18)19(23)24;;/h6-9H,10-11,21H2,1-5H3,(H,23,24);2*1H
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| InChIKey |
GWRKOEVYPVTJGN-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