General Information of the Compound
Compound ID
CP0423909
Compound Name
US9434711, 209
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Structure
Formula
C17H13F2NO3S2
Molecular Weight
381.425
Canonical SMILES
CS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C=O
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InChI
InChI=1S/C17H13F2NO3S2/c1-25(22,23)20(9-11-6-7-14(18)15(19)8-11)17-13(10-21)12-4-2-3-5-16(12)24-17/h2-8,10H,9H2,1H3
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InChIKey
WYIQPHNKISXXPC-UHFFFAOYSA-N
Physicochemical Property
logP
3.9582
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
54.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 87199233
ChEMBL ID
CHEMBL3907818
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 = 32 nM
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   LO
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