General Information of the Compound
Compound ID
CP0377989
Compound Name
2-(4-Butoxy-phenoxy)-N-hydroxy-acetamide
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Synonyms
2-(4-Butoxy-phenoxy)-N-hydroxy-acetamide
Acetamide, 2-(4-butoxyphenoxy)-N-hydroxy-
BDBM50015105
CHEMBL175410
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Structure
Formula
C12H17NO4
Molecular Weight
239.271
Canonical SMILES
CCCCOc1ccc(OCC(=O)NO)cc1
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InChI
InChI=1S/C12H17NO4/c1-2-3-8-16-10-4-6-11(7-5-10)17-9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
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InChIKey
UJAGRYRJVJSNJC-UHFFFAOYSA-N
Physicochemical Property
logP
1.7497
Rotatable Bonds
7
Heavy Atom Count
17
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 44387190
ChEMBL ID
CHEMBL175410
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 = 5300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Butoxy-phenoxy)-N-hydroxy-acetamide )
Drug Name 2-(4-Butoxy-phenoxy)-N-hydroxy-acetamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor