General Information of the Compound
Compound ID
CP0454505
Compound Name
N-hydroxy-3-(7-methylnaphthalen-2-yl)propanamide
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Structure
Formula
C14H15NO2
Molecular Weight
229.279
Canonical SMILES
Cc1ccc2ccc(CCC(=O)NO)cc2c1
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InChI
InChI=1S/C14H15NO2/c1-10-2-5-12-6-3-11(9-13(12)8-10)4-7-14(16)15-17/h2-3,5-6,8-9,17H,4,7H2,1H3,(H,15,16)
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InChIKey
BYAUMYQMTMBNQC-UHFFFAOYSA-N
Physicochemical Property
logP
2.58622
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44387027
ChEMBL ID
CHEMBL176288
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 = 2900 nM
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