General Information of the Compound
Compound ID
CP0403802
Compound Name
N-hydroxy-2-(6-methoxynaphthalen-2-yl)acetamide
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Structure
Formula
C13H13NO3
Molecular Weight
231.251
Canonical SMILES
COc1ccc2cc(CC(=O)NO)ccc2c1
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InChI
InChI=1S/C13H13NO3/c1-17-12-5-4-10-6-9(7-13(15)14-16)2-3-11(10)8-12/h2-6,8,16H,7H2,1H3,(H,14,15)
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InChIKey
MUUNVSPGHWMFFI-UHFFFAOYSA-N
Physicochemical Property
logP
1.8963
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 22722241
ChEMBL ID
CHEMBL426039
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 = 22000 nM
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