General Information of the Compound
Compound ID
CP0315424
Compound Name
2-(2-cyclohexyl-4-methylphenoxy)acetic acid
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Synonyms
2-(2-cyclohexyl-4-methylphenoxy)acetic acid
CHEMBL397651
SCHEMBL4883828
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Structure
Formula
C15H20O3
Molecular Weight
248.322
Canonical SMILES
Cc1ccc(OCC(O)=O)c(c1)C1CCCCC1
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InChI
InChI=1S/C15H20O3/c1-11-7-8-14(18-10-15(16)17)13(9-11)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,16,17)
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InChIKey
QMGSFVNEZAIRGD-UHFFFAOYSA-N
Physicochemical Property
logP
3.50612
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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).

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PubChem ID
CID: 44441192
ChEMBL ID
CHEMBL397651
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 353 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-cyclohexyl-4-methylphenoxy)acetic acid )
Drug Name 2-(2-cyclohexyl-4-methylphenoxy)acetic acid
Target(s)
Prostaglandin D2 receptor 2 (PTGDR2)
Inhibitor