General Information of the Compound
Compound ID
CP0468001
Compound Name
N-hydroxy-2-naphthalen-1-ylacetamide
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Structure
Formula
C12H11NO2
Molecular Weight
201.225
Canonical SMILES
ONC(=O)Cc1cccc2ccccc12
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InChI
InChI=1S/C12H11NO2/c14-12(13-15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,15H,8H2,(H,13,14)
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InChIKey
XGUXBPGHSYDTSY-UHFFFAOYSA-N
CAS
10335-80-5
Physicochemical Property
logP
1.8877
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 289794
SID: 14748705
ChEMBL ID
CHEMBL155319
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 = 27000 nM
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