General Information of the Compound
Compound ID
CP0381344
Compound Name
N-hydroxy-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
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Structure
Formula
C15H17NO3
Molecular Weight
259.305
Canonical SMILES
COc1ccc2cc(ccc2c1)C(C)C(=O)N(C)O
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InChI
InChI=1S/C15H17NO3/c1-10(15(17)16(2)18)11-4-5-13-9-14(19-3)7-6-12(13)8-11/h4-10,18H,1-3H3
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InChIKey
BETHDYUGJBPRLG-UHFFFAOYSA-N
Physicochemical Property
logP
2.7995
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 20481667
ChEMBL ID
CHEMBL67411
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 = 410 nM
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