General Information of the Compound
Compound ID
CP0420377
Compound Name
N-(2-hydroxyethyl)-8-[3-methoxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
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Structure
Formula
C26H45NO4
Molecular Weight
435.649
Canonical SMILES
CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NCCO)c1
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InChI
InChI=1S/C26H45NO4/c1-5-6-7-12-15-26(2,3)22-19-23(30-4)21-24(20-22)31-18-13-10-8-9-11-14-25(29)27-16-17-28/h19-21,28H,5-18H2,1-4H3,(H,27,29)
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InChIKey
QTEXQBVCLNXOOP-UHFFFAOYSA-N
Physicochemical Property
logP
5.7711
Rotatable Bonds
18
Heavy Atom Count
31
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 156022034
ChEMBL ID
CHEMBL4649418
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
Ki = 89.1 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)  1
1
Ki = 129.4 nM
   TI
   LI
   LO
   TS