General Information of the Compound
Compound ID
CP0511353
Compound Name
6-Hexyloxy-naphthalene-2-carboxylic acid hydroxyamide
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Structure
Formula
C17H21NO3
Molecular Weight
287.359
Canonical SMILES
CCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
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InChI
InChI=1S/C17H21NO3/c1-2-3-4-5-10-21-16-9-8-13-11-15(17(19)18-20)7-6-14(13)12-16/h6-9,11-12,20H,2-5,10H2,1H3,(H,18,19)
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InChIKey
LJKONOGXCOXSCA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9179
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 44386864
ChEMBL ID
CHEMBL176849
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 = 6500 nM
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