General Information of the Compound
Compound ID
CP0537626
Compound Name
(5Z,8Z,11Z,14Z)-N-(furan-3-ylmethyl)-N-methylicosa-5,8,11,14-tetraenamide
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Structure
Formula
C26H39NO2
Molecular Weight
397.603
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N(C)Cc1ccoc1
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InChI
InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(28)27(2)23-25-21-22-29-24-25/h7-8,10-11,13-14,16-17,21-22,24H,3-6,9,12,15,18-20,23H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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InChIKey
FCGZRGKHRSLYNZ-ZKWNWVNESA-N
Physicochemical Property
logP
7.3837
Rotatable Bonds
16
Heavy Atom Count
29
Polar Areas
33.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 10883832
SID: 15930065
ChEMBL ID
CHEMBL41226
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 > 1000 nM
   TI
   LI
   LO
   TS