General Information of the Compound
Compound ID
CP0432931
Compound Name
N-cyclopropyl-11-(3-hydroxy-4-pentylphenoxy)undecanamide
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Structure
Formula
C25H41NO3
Molecular Weight
403.607
Canonical SMILES
CCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O
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InChI
InChI=1S/C25H41NO3/c1-2-3-10-13-21-15-18-23(20-24(21)27)29-19-12-9-7-5-4-6-8-11-14-25(28)26-22-16-17-22/h15,18,20,22,27H,2-14,16-17,19H2,1H3,(H,26,28)
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InChIKey
ZUZXFSJBHTVPLR-UHFFFAOYSA-N
Physicochemical Property
logP
6.2932
Rotatable Bonds
17
Heavy Atom Count
29
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44424094
ChEMBL ID
CHEMBL229872
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 = 5.2 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 = 13 nM
   TI
   LI
   LO
   TS