General Information of the Compound
Compound ID
CP0417334
Compound Name
N-(cyclopropylmethyl)-11-(3,5-dihydroxyphenoxy)undecanamide
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Structure
Formula
C21H33NO4
Molecular Weight
363.498
Canonical SMILES
Oc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1
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InChI
InChI=1S/C21H33NO4/c23-18-13-19(24)15-20(14-18)26-12-8-6-4-2-1-3-5-7-9-21(25)22-16-17-10-11-17/h13-15,17,23-24H,1-12,16H2,(H,22,25)
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InChIKey
OWIWICJORCNNPE-UHFFFAOYSA-N
Physicochemical Property
logP
4.5137
Rotatable Bonds
14
Heavy Atom Count
26
Polar Areas
78.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 42625283
SID: 81057556
ChEMBL ID
CHEMBL522123
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
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
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
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 10000 nM
   TI
   LI
   LO
   TS