General Information of the Compound
Compound ID
CP0407433
Compound Name
US9416103, TV-5-157
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Structure
Formula
C24H23NO2
Molecular Weight
357.453
Canonical SMILES
CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
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InChI
InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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InChIKey
VYSXHDSWRSDRDQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.8342
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
31.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 71683085
ChEMBL ID
CHEMBL2380420
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 = 45 nM
   TI
   LI
   LO
   TS
2
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 45 nM
   TI
   LI
   LO
   TS
2
Ki = 1.7 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 = 0.81 nM
   TI
   LI
   LO
   TS