General Information of the Compound
Compound ID
CP0432580
Compound Name
N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
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Structure
Formula
C14H15NO3
Molecular Weight
245.278
Canonical SMILES
COc1ccc2cc(ccc2c1)C(C)C(=O)NO
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InChI
InChI=1S/C14H15NO3/c1-9(14(16)15-17)10-3-4-12-8-13(18-2)6-5-11(12)7-10/h3-9,17H,1-2H3,(H,15,16)
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InChIKey
RZCRNJWKSQLYQS-UHFFFAOYSA-N
Physicochemical Property
logP
2.4573
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44386812
ChEMBL ID
CHEMBL177246
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 = 6500 nM
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