General Information of the Compound
Compound ID
CP0441343
Compound Name
7-phenoxy-4-phenyl-2-naphthoic acid
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Structure
Formula
C23H16O3
Molecular Weight
340.378
Canonical SMILES
OC(=O)c1cc(-c2ccccc2)c2ccc(Oc3ccccc3)cc2c1
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InChI
InChI=1S/C23H16O3/c24-23(25)18-13-17-14-20(26-19-9-5-2-6-10-19)11-12-21(17)22(15-18)16-7-3-1-4-8-16/h1-15H,(H,24,25)
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InChIKey
ZGPCPCXGKKJJBA-UHFFFAOYSA-N
Physicochemical Property
logP
5.9973
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
46.53
Hydrogen Bond Donor Count
1
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: 54581993
ChEMBL ID
CHEMBL1774884
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: PT05244, P2Y purinoceptor 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4900 nM
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