General Information of the Compound
Compound ID
CP0493014
Compound Name
11-(3-hydroxyphenoxy)undecanoic acid cyclopropilamide
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Structure
Formula
C20H31NO3
Molecular Weight
333.472
Canonical SMILES
Oc1cccc(OCCCCCCCCCCC(=O)NC2CC2)c1
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InChI
InChI=1S/C20H31NO3/c22-18-10-9-11-19(16-18)24-15-8-6-4-2-1-3-5-7-12-20(23)21-17-13-14-17/h9-11,16-17,22H,1-8,12-15H2,(H,21,23)
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InChIKey
CQJXAIXGVLDTKT-UHFFFAOYSA-N
Physicochemical Property
logP
4.5605
Rotatable Bonds
13
Heavy Atom Count
24
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11638547
SID: 16741797
ChEMBL ID
CHEMBL225342
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 = 5400 nM
   TI
   LI
   LO
   TS