General Information of the Compound
Compound ID
CP0548639
Compound Name
2-(3-Phenoxy-benzyl)-naphthalen-1-ol
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Structure
Formula
C23H18O2
Molecular Weight
326.395
Canonical SMILES
Oc1c(Cc2cccc(Oc3ccccc3)c2)ccc2ccccc12
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InChI
InChI=1S/C23H18O2/c24-23-19(14-13-18-8-4-5-12-22(18)23)15-17-7-6-11-21(16-17)25-20-9-2-1-3-10-20/h1-14,16,24H,15H2
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InChIKey
GYBNMVPCQRNIRW-UHFFFAOYSA-N
Physicochemical Property
logP
5.9285
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 15617851
ChEMBL ID
CHEMBL333111
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 = 83 nM
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