General Information of the Compound
Compound ID
CP0964785
Compound Name
4-methyl-6-((2,3,4-trichlorophenoxy)methyl)picolinic acid
    Show/Hide
Structure
Formula
C14H10Cl3NO3
Molecular Weight
346.597
Canonical SMILES
Cc1cc(COc2ccc(Cl)c(Cl)c2Cl)nc(C(=O)O)c1
    Show/Hide
InChI
InChI=1S/C14H10Cl3NO3/c1-7-4-8(18-10(5-7)14(19)20)6-21-11-3-2-9(15)12(16)13(11)17/h2-5H,6H2,1H3,(H,19,20)
    Show/Hide
InChIKey
UVFFAUBFTHDPGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.62742
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
59.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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
CID: 155154086
ChEMBL ID
CHEMBL4858410
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 < 100 nM
   TI
   LI
   LO
   TS