General Information of the Compound
Compound ID
CP0428675
Compound Name
8-(2-hexyl-5-hydroxy-phenoxy)-octanoic acidcyclopropylamide
    Show/Hide
Structure
Formula
C23H37NO3
Molecular Weight
375.553
Canonical SMILES
CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NC1CC1
    Show/Hide
InChI
InChI=1S/C23H37NO3/c1-2-3-4-8-12-20-21(25)13-11-14-22(20)27-18-10-7-5-6-9-15-23(26)24-19-16-17-19/h11,13-14,19,25H,2-10,12,15-18H2,1H3,(H,24,26)
    Show/Hide
InChIKey
XBSFIYBSGSTUOR-UHFFFAOYSA-N
Physicochemical Property
logP
5.513
Rotatable Bonds
15
Heavy Atom Count
27
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44424082
ChEMBL ID
CHEMBL228456
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 = 310 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 = 1800 nM
   TI
   LI
   LO
   TS