General Information of the Compound
Compound ID
CP0392217
Compound Name
5-(1-Hydroxy-naphthalen-2-yl)-pentanoic acid
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Structure
Formula
C15H16O3
Molecular Weight
244.29
Canonical SMILES
OC(=O)CCCCc1ccc2ccccc2c1O
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InChI
InChI=1S/C15H16O3/c16-14(17)8-4-2-6-12-10-9-11-5-1-3-7-13(11)15(12)18/h1,3,5,7,9-10,18H,2,4,6,8H2,(H,16,17)
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InChIKey
RWFZKVHMFCNDEQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3428
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 23183424
ChEMBL ID
CHEMBL123179
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 4200 nM
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