General Information of the Compound
Compound ID
CP0372383
Compound Name
naphthalen-1-yl-(4-propoxynaphthalen-1-yl)methanone
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Structure
Formula
C24H20O2
Molecular Weight
340.422
Canonical SMILES
CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
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InChI
InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3
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InChIKey
JZRFPMMWNDITRV-UHFFFAOYSA-N
Physicochemical Property
logP
6.0128
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 44427440
ChEMBL ID
CHEMBL243334
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 = 300 nM
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   LI
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   TS
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 = 90 nM
   TI
   LI
   LO
   TS