General Information of the Compound
Compound ID
CP0496645
Compound Name
6-Non-3-enyloxy-naphthalene-2-carboxylic acid hydroxyamide
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Structure
Formula
C20H25NO3
Molecular Weight
327.424
Canonical SMILES
CCCCC\C=C/CCOc1ccc2cc(ccc2c1)C(=O)NO
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InChI
InChI=1S/C20H25NO3/c1-2-3-4-5-6-7-8-13-24-19-12-11-16-14-18(20(22)21-23)10-9-17(16)15-19/h6-7,9-12,14-15,23H,2-5,8,13H2,1H3,(H,21,22)/b7-6-
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InChIKey
NWRHJZYWOLKOEW-SREVYHEPSA-N
Physicochemical Property
logP
4.8642
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 44369597
ChEMBL ID
CHEMBL155522
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 = 2900 nM
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