General Information of the Compound
Compound ID
CP0441148
Compound Name
naphthalen-2-yl(phenyl)methanol
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Structure
Formula
C17H14O
Molecular Weight
234.298
Canonical SMILES
OC(c1ccccc1)c1ccc2ccccc2c1
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InChI
InChI=1S/C17H14O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18H
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InChIKey
RVWPQZWRXDGDCG-UHFFFAOYSA-N
Physicochemical Property
logP
3.9215
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 570772
SID: 14941456
ChEMBL ID
CHEMBL121928
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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