General Information of the Compound
Compound ID
CP0526835
Compound Name
N-cyclopropyl-11-(3-pentylphenoxy)undecanamide
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Structure
Formula
C25H41NO2
Molecular Weight
387.608
Canonical SMILES
CCCCCc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
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InChI
InChI=1S/C25H41NO2/c1-2-3-10-14-22-15-13-16-24(21-22)28-20-12-9-7-5-4-6-8-11-17-25(27)26-23-18-19-23/h13,15-16,21,23H,2-12,14,17-20H2,1H3,(H,26,27)
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InChIKey
ZWANZUMSTXYAJD-UHFFFAOYSA-N
Physicochemical Property
logP
6.5876
Rotatable Bonds
17
Heavy Atom Count
28
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 156020907
ChEMBL ID
CHEMBL4646867
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 30.99 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.28 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3.5 nM
   TI
   LI
   LO
   TS