General Information of the Compound
Compound ID
CP0448288
Compound Name
4-Butoxy-N-hydroxy-N-methyl-benzamide
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Synonyms
4-Butoxy-N-hydroxy-N-methyl-benzamide
4-Butoxy-N-methylbenzohydroxamic acid
BDBM50015090
Benzamide, 4-butoxy-N-hydroxy-N-methyl-
CHEMBL177392
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Structure
Formula
C12H17NO3
Molecular Weight
223.272
Canonical SMILES
CCCCOc1ccc(cc1)C(=O)N(C)O
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InChI
InChI=1S/C12H17NO3/c1-3-4-9-16-11-7-5-10(6-8-11)12(14)13(2)15/h5-8,15H,3-4,9H2,1-2H3
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InChIKey
OFVDFLZBUJEGOQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3267
Rotatable Bonds
5
Heavy Atom Count
16
Polar Areas
49.77
Hydrogen Bond Donor Count
1
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: 44387015
ChEMBL ID
CHEMBL177392
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 = 490 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Butoxy-N-hydroxy-N-methyl-benzamide )
Drug Name 4-Butoxy-N-hydroxy-N-methyl-benzamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor