General Information of the Compound
Compound ID
CP0061010
Compound Name
2-(4-Butoxy-phenyl)-N-hydroxy-acetamide
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Synonyms
2-(4-Butoxyphenyl)-N-hydroxyacetamide
2-(p-Butoxyphenyl)-acetohydroxamic acid
2438-72-4
4-Butoxy-N-hydroxybenzeneacetamide
4-Butoxyphenylacetohydroxamic acid
Acide p-butoxyphenylacethydroxamique
Anderm
Benzeneacetamide, 4-butoxy-N-hyd
Bufessamac [DCIT]
Bufexamac
Bufexamaco
Bufexamaco [INN-Spanish]
Bufexamacum
Bufexamacum [INN-Latin]
Bufexamic acid
CP 1044 J3
Droxaryl
Feximac
Flogicid
Flogocid N plastigel
Malipuran
Mofenar
Norfemac
Paraderm
Parfenac
Parfenal
UNII-4T3C38J78L
bufexamac
p-Butoxyphenylacetohydroxamic acid
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Structure
Formula
C12H17NO3
Molecular Weight
223.272
Canonical SMILES
CCCCOc1ccc(CC(=O)NO)cc1
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InChI
InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
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InChIKey
MXJWRABVEGLYDG-UHFFFAOYSA-N
CAS
2438-72-4
Physicochemical Property
logP
1.9134
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 2466
SID: 14822760
ChEMBL ID
CHEMBL94394
DrugBank ID
DB13346
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 15848.9 nM
   TI
   LI
   LO
   TS
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 = 27000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Bufexamac )
Drug Name Bufexamac
Indication
Dermatitis
Approved