General Information of the Compound
Compound ID
CP0440406
Compound Name
6-Butoxy-naphthalene-2-carboxylic acid hydroxyamide
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Structure
Formula
C15H17NO3
Molecular Weight
259.305
Canonical SMILES
CCCCOc1ccc2cc(ccc2c1)C(=O)NO
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InChI
InChI=1S/C15H17NO3/c1-2-3-8-19-14-7-6-11-9-13(15(17)16-18)5-4-12(11)10-14/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17)
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InChIKey
AXPGGLDXURIXNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.1377
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 13672348
ChEMBL ID
CHEMBL154827
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 = 2000 nM
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