General Information of the Compound
Compound ID
CP0451682
Compound Name
(4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanone
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Structure
Formula
C27H26O2
Molecular Weight
382.503
Canonical SMILES
CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
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InChI
InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3
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InChIKey
CWUOLTVQXBFROF-UHFFFAOYSA-N
Physicochemical Property
logP
7.1831
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 44427442
ChEMBL ID
CHEMBL244606
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 160 nM
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Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 660 nM
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