General Information of the Compound
| Compound ID |
CP0785521
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| Compound Name |
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-(1-methylethyl)-4-(4-methylphenyl)pyridine-3-carboxylic acid Dihydrochloride
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| Structure |
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| Formula |
C22H32Cl2N2O2
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| Molecular Weight |
427.416
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| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(C(C)C)c2C(=O)O)cc1.Cl.Cl
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| InChI |
InChI=1S/C22H30N2O2.2ClH/c1-13(2)20-19(21(25)26)18(15-9-7-14(3)8-10-15)16(12-23)17(24-20)11-22(4,5)6;;/h7-10,13H,11-12,23H2,1-6H3,(H,25,26);2*1H
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| InChIKey |
DLBVJRNLCSQAQF-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