General Information of the Compound
Compound ID
CP0445280
Compound Name
N-hydroxy-4-(2-methylpropyl)benzamide
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Synonyms
4-(2-Methylpropyl)benzohydroximic acid
BDBM50015175
CHEMBL439659
N-Hydroxy-4-isobutyl-benzamide
SCHEMBL6919015
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Structure
Formula
C11H15NO2
Molecular Weight
193.246
Canonical SMILES
CC(C)Cc1ccc(cc1)C(=O)NO
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InChI
InChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)11(13)12-14/h3-6,8,14H,7H2,1-2H3,(H,12,13)
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InChIKey
ACMIPAPWWYGZNO-UHFFFAOYSA-N
Physicochemical Property
logP
2.0041
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 20771934
ChEMBL ID
CHEMBL439659
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 = 6000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-Hydroxy-4-isobutyl-benzamide )
Drug Name N-Hydroxy-4-isobutyl-benzamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor