General Information of the Compound
Compound ID
CP0464209
Compound Name
4-(4-benzoylbenzamido)benzoic acid
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Structure
Formula
C21H15NO4
Molecular Weight
345.354
Canonical SMILES
OC(=O)c1ccc(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)cc1
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InChI
InChI=1S/C21H15NO4/c23-19(14-4-2-1-3-5-14)15-6-8-16(9-7-15)20(24)22-18-12-10-17(11-13-18)21(25)26/h1-13H,(H,22,24)(H,25,26)
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InChIKey
CWESOEBWAGKFCI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8681
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
83.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 818213
ChEMBL ID
CHEMBL404008
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
CL001022 HEK293EM Homo sapiens (Human)  1
1
EC50 = 16100 nM
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