General Information of the Compound
Compound ID
CP0482838
Compound Name
US9434711, 152
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Structure
Formula
C17H14BrF2NO2S2
Molecular Weight
446.338
Canonical SMILES
CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1Br
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InChI
InChI=1S/C17H14BrF2NO2S2/c1-2-25(22,23)21(10-11-7-8-13(19)14(20)9-11)17-16(18)12-5-3-4-6-15(12)24-17/h3-9H,2,10H2,1H3
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InChIKey
HFXYPHHOPLKQNM-UHFFFAOYSA-N
Physicochemical Property
logP
5.2983
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 66906922
ChEMBL ID
CHEMBL3891366
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: PT00608, Transient receptor potential M8 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2.6 nM
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