General Information of the Compound
Compound ID
CP0393319
Compound Name
N-hydroxynaphthalene-2-carboxamide
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Synonyms
10335-79-2
2-NAPHTHOHYDROXAMIC ACID
2-Naphthalenecarboxamide, N-hydroxy-
2-Naphthalenecarboxamide, N-hydroxy- (9CI)
2-Naphthohydroximic acid
2-Naphthoylhydroxamic acid
2-Naphthylhydroxamic acid
AC1L18K7
AKOS000178377
BDBM50015160
CHEMBL156672
DTXSID70145795
KSC-264-28-1
KUC110312N
LS-95339
N,N-Naphthaloylhydroxylamine
N-Hydroxy-2-naphthalenecarboxamide
N-hydroxynaphthalene-2-carboxamide
Naphthalene-2-carboxylic acid hydroxyamide
SCHEMBL6010034
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Structure
Formula
C11H9NO2
Molecular Weight
187.198
Canonical SMILES
ONC(=O)c1ccc2ccccc2c1
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InChI
InChI=1S/C11H9NO2/c13-11(12-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H,12,13)
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InChIKey
PCJLUGWQCHMMAG-UHFFFAOYSA-N
CAS
10335-79-2
Physicochemical Property
logP
1.9588
Rotatable Bonds
1
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: 25164
SID: 14916415
ChEMBL ID
CHEMBL156672
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 = 14000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Naphthalene-2-carboxylic acid hydroxyamide )
Drug Name Naphthalene-2-carboxylic acid hydroxyamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor