General Information of the Compound
Compound ID
CP0374829
Compound Name
2-(2-Methyl-benzyl)-naphthalen-1-ol
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Structure
Formula
C18H16O
Molecular Weight
248.325
Canonical SMILES
Cc1ccccc1Cc1ccc2ccccc2c1O
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InChI
InChI=1S/C18H16O/c1-13-6-2-3-8-15(13)12-16-11-10-14-7-4-5-9-17(14)18(16)19/h2-11,19H,12H2,1H3
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InChIKey
CFDYAGKMKWEKLW-UHFFFAOYSA-N
Physicochemical Property
logP
4.44462
Rotatable Bonds
2
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: 15617871
ChEMBL ID
CHEMBL332588
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 = 120 nM
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