General Information of the Compound
Compound ID
CP0492388
Compound Name
2-(4-Ethoxy-benzyl)-naphthalen-1-ol
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Structure
Formula
C19H18O2
Molecular Weight
278.351
Canonical SMILES
CCOc1ccc(Cc2ccc3ccccc3c2O)cc1
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InChI
InChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-12,20H,2,13H2,1H3
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InChIKey
YYFKPFDHALEREI-UHFFFAOYSA-N
Physicochemical Property
logP
4.5349
Rotatable Bonds
4
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: 15617864
ChEMBL ID
CHEMBL126213
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 = 62 nM
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