General Information of the Compound
Compound ID
CP0469875
Compound Name
N-cyclopropyl-11-(3-methoxy-5-pentylphenoxy)undecanamide
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Structure
Formula
C26H43NO3
Molecular Weight
417.634
Canonical SMILES
CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
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InChI
InChI=1S/C26H43NO3/c1-3-4-11-14-22-19-24(29-2)21-25(20-22)30-18-13-10-8-6-5-7-9-12-15-26(28)27-23-16-17-23/h19-21,23H,3-18H2,1-2H3,(H,27,28)
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InChIKey
IGGCLPHXCBCRCJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.5962
Rotatable Bonds
18
Heavy Atom Count
30
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 156018805
ChEMBL ID
CHEMBL4644215
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 = 6.21 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3.5 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 = 397.9 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS