General Information of the Compound
Compound ID
CP0527861
Compound Name
N-(2-hydroxyethyl)-11-(3-methoxy-5-pentylphenoxy)undecanamide
    Show/Hide
Structure
Formula
C25H43NO4
Molecular Weight
421.622
Canonical SMILES
CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCCO)c1
    Show/Hide
InChI
InChI=1S/C25H43NO4/c1-3-4-11-14-22-19-23(29-2)21-24(20-22)30-18-13-10-8-6-5-7-9-12-15-25(28)26-16-17-27/h19-21,27H,3-18H2,1-2H3,(H,26,28)
    Show/Hide
InChIKey
YOODCUVAOWQGPD-UHFFFAOYSA-N
Physicochemical Property
logP
5.4261
Rotatable Bonds
19
Heavy Atom Count
30
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 156013106
ChEMBL ID
CHEMBL4639172
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 = 87.6 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 = 33.2 nM
   TI
   LI
   LO
   TS