General Information of the Compound
Compound ID
CP0474987
Compound Name
US9422235, 77
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Structure
Formula
C17H15Cl2F3N2O3S
Molecular Weight
455.285
Canonical SMILES
FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NOCC1CC1
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InChI
InChI=1S/C17H15Cl2F3N2O3S/c18-11-3-5-15(14(19)7-11)23-12-4-6-16(13(8-12)17(20,21)22)28(25,26)24-27-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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InChIKey
GZISWDIXAADSSW-UHFFFAOYSA-N
Physicochemical Property
logP
5.3757
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 68488217
ChEMBL ID
CHEMBL3911376
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 = 2262 nM
   TI
   LI
   LO
   TS
2
Ki = 1145 nM
   TI
   LI
   LO
   TS