General Information of the Compound
Compound ID
CP0505711
Compound Name
2-Benzyl-5,8-dimethyl-naphthalen-1-ol
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Structure
Formula
C19H18O
Molecular Weight
262.352
Canonical SMILES
Cc1ccc(C)c2c(O)c(Cc3ccccc3)ccc12
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InChI
InChI=1S/C19H18O/c1-13-8-9-14(2)18-17(13)11-10-16(19(18)20)12-15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3
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InChIKey
MYMDEADWTCWLJG-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: 15617883
ChEMBL ID
CHEMBL122984
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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