General Information of the Compound
Compound ID
CP0482473
Compound Name
(5Z,8Z,11Z,13S,14Z)-N-cyclopropyl-13-methylicosa-5,8,11,14-tetraenamide
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Structure
Formula
C24H39NO
Molecular Weight
357.582
Canonical SMILES
CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
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InChI
InChI=1S/C24H39NO/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-24(26)25-23-20-21-23/h7-10,14-15,17-18,22-23H,3-6,11-13,16,19-21H2,1-2H3,(H,25,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
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InChIKey
QWOSQZCKUTULAW-VVFVXTANSA-N
Physicochemical Property
logP
6.6567
Rotatable Bonds
15
Heavy Atom Count
26
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 145971834
ChEMBL ID
CHEMBL4215369
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 = 0.3 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 = 4.3 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 = 57.5 nM
   TI
   LI
   LO
   TS