General Information of the Compound
Compound ID
CP0483265
Compound Name
US9422235, 97
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Structure
Formula
C14H17F3N2O2S
Molecular Weight
334.363
Canonical SMILES
FC(F)(F)c1cc(NC2CC2)ccc1S(=O)(=O)NCC1CC1
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InChI
InChI=1S/C14H17F3N2O2S/c15-14(16,17)12-7-11(19-10-3-4-10)5-6-13(12)22(20,21)18-8-9-1-2-9/h5-7,9-10,18-19H,1-4,8H2
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InChIKey
BXKWBRPHBQVRQH-UHFFFAOYSA-N
Physicochemical Property
logP
2.968
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 24946181
SID: 56243888
ChEMBL ID
CHEMBL3975461
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)  1
1
Ki = 86980 nM
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   LI
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   TS