General Information of the Compound
Compound ID
CP0522042
Compound Name
7-(benzyloxy)-4-phenyl-2-naphthoic acid
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Structure
Formula
C24H18O3
Molecular Weight
354.405
Canonical SMILES
OC(=O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1
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InChI
InChI=1S/C24H18O3/c25-24(26)20-13-19-14-21(27-16-17-7-3-1-4-8-17)11-12-22(19)23(15-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26)
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InChIKey
UKBHCOJXXIXZMO-UHFFFAOYSA-N
Physicochemical Property
logP
5.784
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 19027172
ChEMBL ID
CHEMBL1774882
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 = 3500 nM
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