General Information of the Compound
Compound ID
CP0484452
Compound Name
US9422235, 5
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Structure
Formula
C17H15Cl2FN2O
Molecular Weight
353.224
Canonical SMILES
Fc1cc(Nc2ccc(Cl)cc2Cl)ccc1C(=O)NCC1CC1
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InChI
InChI=1S/C17H15Cl2FN2O/c18-11-3-6-16(14(19)7-11)22-12-4-5-13(15(20)8-12)17(23)21-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)
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InChIKey
YAYVWQIXPYXKAN-UHFFFAOYSA-N
Physicochemical Property
logP
5.0159
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 70908247
ChEMBL ID
CHEMBL3899579
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 2150 nM
   TI
   LI
   LO
   TS
2
Ki = 826 nM
   TI
   LI
   LO
   TS