General Information of the Compound
Compound ID
CP0465023
Compound Name
Anthracene-2-carboxylic acid hydroxyamide
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Synonyms
Anthracene-2-carbohydroximic acid
Anthracene-2-carboxylic acid hydroxyamide
BDBM50015189
CHEMBL175319
SCHEMBL10362855
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Structure
Formula
C15H11NO2
Molecular Weight
237.258
Canonical SMILES
ONC(=O)c1ccc2cc3ccccc3cc2c1
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InChI
InChI=1S/C15H11NO2/c17-15(16-18)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9,18H,(H,16,17)
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InChIKey
YGGCUZPPJKJWPE-UHFFFAOYSA-N
Physicochemical Property
logP
3.112
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 20227315
ChEMBL ID
CHEMBL175319
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 = 980 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Anthracene-2-carboxylic acid hydroxyamide )
Drug Name Anthracene-2-carboxylic acid hydroxyamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor