General Information of the Compound
Compound ID
CP0384731
Compound Name
US9434711, 133
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Structure
Formula
C17H15F2NO4S3
Molecular Weight
431.507
Canonical SMILES
CS(=O)(=O)CS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1
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InChI
InChI=1S/C17H15F2NO4S3/c1-26(21,22)11-27(23,24)20(10-12-6-7-14(18)15(19)8-12)17-9-13-4-2-3-5-16(13)25-17/h2-9H,10-11H2,1H3
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InChIKey
UDBGEQFMZQSCHU-UHFFFAOYSA-N
Physicochemical Property
logP
3.518
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
71.52
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 87199127
ChEMBL ID
CHEMBL3924959
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 = 60 nM
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