General Information of the Compound
| Compound ID |
CP0882662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((2,4-dichlorophenoxy)methyl)picolinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H9Cl2NO3
|
||||||||||||||||||
| Molecular Weight |
298.125
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H9Cl2NO3/c14-8-4-5-12(10(15)6-8)19-7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMRBNGORDVGEJX-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: PT06353, Mas-related G-protein coupled receptor member X4