General Information of the Compound
Compound ID
CP0375824
Compound Name
2-Benzyl-5-methoxy-naphthalen-1-ol
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Structure
Formula
C18H16O2
Molecular Weight
264.324
Canonical SMILES
COc1cccc2c(O)c(Cc3ccccc3)ccc12
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InChI
InChI=1S/C18H16O2/c1-20-17-9-5-8-16-15(17)11-10-14(18(16)19)12-13-6-3-2-4-7-13/h2-11,19H,12H2,1H3
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InChIKey
LCJHJYAHVAYNBF-UHFFFAOYSA-N
Physicochemical Property
logP
4.1448
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 15617881
ChEMBL ID
CHEMBL331305
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 = 100 nM
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