General Information of the Compound
Compound ID
CP0104537
Compound Name
(5Z,7R,8Z,11Z,14Z)-N-(2-hydroxyethyl)-7-methylicosa-5,8,11,14-tetraenamide
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Structure
Formula
C23H39NO2
Molecular Weight
361.57
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)NCCO
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InChI
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-14-17-22(2)18-15-13-16-19-23(26)24-20-21-25/h7-8,10-11,14-15,17-18,22,25H,3-6,9,12-13,16,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,17-14-,18-15-/t22-/m0/s1
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InChIKey
DYIIIMYTCWNUID-PGLRJTKFSA-N
Physicochemical Property
logP
5.4866
Rotatable Bonds
16
Heavy Atom Count
26
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 145978417
ChEMBL ID
CHEMBL4208217
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: PT02190, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 4.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT01998, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 7.5 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 = 24.7 nM
   TI
   LI
   LO
   TS