General Information of the Compound
Compound ID
CP0407448
Compound Name
US9416103, JWH-073-M4
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Structure
Formula
C23H21NO2
Molecular Weight
343.426
Canonical SMILES
CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(O)c12
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InChI
InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3
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InChIKey
RERSSQCTZKUWMM-UHFFFAOYSA-N
Physicochemical Property
logP
5.5312
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
42.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 53394455
ChEMBL ID
CHEMBL2380417
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: PT01715, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000020 Neuro-2a Mus musculus (Mouse)  2
1
IC50 = 225 nM
   TI
   LI
   LO
   TS
2
Ki = 24.2 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 24.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 78.3 nM
   TI
   LI
   LO
   TS