General Information of the Compound
Compound ID
CP0079784
Compound Name
2-[2-(4-methoxyphenoxy)acetamido]benzoic acid
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Structure
Formula
C16H15NO5
Molecular Weight
301.298
Canonical SMILES
COc1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1
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InChI
InChI=1S/C16H15NO5/c1-21-11-6-8-12(9-7-11)22-10-15(18)17-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
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InChIKey
JHCUZGSREIUIPD-UHFFFAOYSA-N
Physicochemical Property
logP
2.4109
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
84.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 882926
SID: 24903628
ChEMBL ID
CHEMBL228244
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6000 nM
   TI
   LI
   LO
   TS
2
EC50 = 12500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 2500 nM