General Information of the Compound
Compound ID
CP0514639
Compound Name
2-Phenethyl-naphthalen-1-ol
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Structure
Formula
C18H16O
Molecular Weight
248.325
Canonical SMILES
Oc1c(CCc2ccccc2)ccc2ccccc12
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InChI
InChI=1S/C18H16O/c19-18-16(11-10-14-6-2-1-3-7-14)13-12-15-8-4-5-9-17(15)18/h1-9,12-13,19H,10-11H2
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InChIKey
AWIJHZIZSALXDG-UHFFFAOYSA-N
Physicochemical Property
logP
4.3306
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 44347807
ChEMBL ID
CHEMBL123604
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 = 140 nM
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