General Information of the Compound
Compound ID
CP0852446
Compound Name
2-ethyl-(6-(naphthalen-1-yloxy)hexanamido)acetate
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Structure
Formula
C20H25NO4
Molecular Weight
343.423
Canonical SMILES
CCOC(=O)CNC(=O)CCCCCOc1cccc2ccccc12
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InChI
InChI=1S/C20H25NO4/c1-2-24-20(23)15-21-19(22)13-4-3-7-14-25-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,22)
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InChIKey
FLKUUIABSQJJHM-UHFFFAOYSA-N
Physicochemical Property
logP
3.4583
Rotatable Bonds
10
Heavy Atom Count
25
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 122182969
ChEMBL ID
CHEMBL3596750
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)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS