General Information of the Compound
Compound ID
CP0503367
Compound Name
2-Benzyl-5,7-dimethyl-naphthalen-1-ol
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Structure
Formula
C19H18O
Molecular Weight
262.352
Canonical SMILES
Cc1cc(C)c2ccc(Cc3ccccc3)c(O)c2c1
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InChI
InChI=1S/C19H18O/c1-13-10-14(2)17-9-8-16(19(20)18(17)11-13)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
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InChIKey
YRFBTYHHTFUJCZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.75304
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 15617880
ChEMBL ID
CHEMBL123283
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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