General Information of the Compound
Compound ID
CP0248960
Compound Name
(5Z,7R,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-7-methylicosa-5,8,11,14-tetraenamide
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Structure
Formula
C24H41NO2
Molecular Weight
375.597
Canonical SMILES
CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)N[C@H](C)CO
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InChI
InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18-22(2)19-16-14-17-20-24(27)25-23(3)21-26/h8-9,11-12,15-16,18-19,22-23,26H,4-7,10,13-14,17,20-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,18-15-,19-16-/t22-,23+/m0/s1
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InChIKey
SKCZBQSPGJHKOX-OCJZLHTRSA-N
Physicochemical Property
logP
5.8751
Rotatable Bonds
16
Heavy Atom Count
27
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 145966771
ChEMBL ID
CHEMBL4213566
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 = 28.4 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 = 12.8 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 = 19.8 nM
   TI
   LI
   LO
   TS