General Information of the Compound
Compound ID
CP0896618
Compound Name
3-(4-(4'-Methylbiphenyl-3-ylmethylamino)phenyl)propanoic acid
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Structure
Formula
C23H23NO2
Molecular Weight
345.442
Canonical SMILES
Cc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)cc1
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InChI
InChI=1S/C23H23NO2/c1-17-5-10-20(11-6-17)21-4-2-3-19(15-21)16-24-22-12-7-18(8-13-22)9-14-23(25)26/h2-8,10-13,15,24H,9,14,16H2,1H3,(H,25,26)
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InChIKey
NMUUFRDTPRFAER-UHFFFAOYSA-N
Physicochemical Property
logP
5.29132
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 54583099
ChEMBL ID
CHEMBL1773260
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
EC50 = 125.89 nM
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