General Information of the Compound
| Compound ID |
CP0844246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-(2-methylpropyl)pyridine-3-carboxylic Acid Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
441.443
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(CC(C)C)c2C(=O)O)cc1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32N2O2.2ClH/c1-14(2)11-18-21(22(26)27)20(16-9-7-15(3)8-10-16)17(13-24)19(25-18)12-23(4,5)6;;/h7-10,14H,11-13,24H2,1-6H3,(H,26,27);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LVNKMGWFNTUZTR-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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