General Information of the Compound
Compound ID
CP0548640
Compound Name
2-(2-Benzyl-naphthalen-1-yloxy)-ethanol
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Structure
Formula
C19H18O2
Molecular Weight
278.351
Canonical SMILES
OCCOc1c(Cc2ccccc2)ccc2ccccc12
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InChI
InChI=1S/C19H18O2/c20-12-13-21-19-17(14-15-6-2-1-3-7-15)11-10-16-8-4-5-9-18(16)19/h1-11,20H,12-14H2
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InChIKey
NGZMJEABLCWHBD-UHFFFAOYSA-N
Physicochemical Property
logP
3.8017
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44347847
ChEMBL ID
CHEMBL123656
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 = 40000 nM
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