General Information of the Compound
Compound ID
CP0374174
Compound Name
6-Methoxy-naphthalene-2-carboxylic acid hydroxyamide
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Structure
Formula
C12H11NO3
Molecular Weight
217.224
Canonical SMILES
COc1ccc2cc(ccc2c1)C(=O)NO
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InChI
InChI=1S/C12H11NO3/c1-16-11-5-4-8-6-10(12(14)13-15)3-2-9(8)7-11/h2-7,15H,1H3,(H,13,14)
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InChIKey
WKCRWSQDVUAPIR-UHFFFAOYSA-N
Physicochemical Property
logP
1.9674
Rotatable Bonds
2
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: 13672347
ChEMBL ID
CHEMBL154887
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 = 8200 nM
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