General Information of the Compound
Compound ID
CP0222636
Compound Name
(5Z,8Z)-Icosa-5,8,11,14-tetraenoic acid (furan-3-ylmethyl)-amide
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Structure
Formula
C25H37NO2
Molecular Weight
383.576
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCc1ccoc1
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InChI
InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27)/b7-6-,10-9-,13-12-,16-15-
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InChIKey
FZNNBSHTNRBBBD-DOFZRALJSA-N
Physicochemical Property
logP
7.0415
Rotatable Bonds
16
Heavy Atom Count
28
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 10199993
SID: 26683786
ChEMBL ID
CHEMBL434778
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 67 nM
   TI
   LI
   LO
   TS
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 = 7240 nM
   TI
   LI
   LO
   TS