General Information of the Compound
Compound ID
CP0423924
Compound Name
US9434711, 203
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Structure
Formula
C19H17F2NO3S2
Molecular Weight
409.479
Canonical SMILES
CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C(C)=O
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InChI
InChI=1S/C19H17F2NO3S2/c1-3-27(24,25)22(11-13-8-9-15(20)16(21)10-13)19-18(12(2)23)14-6-4-5-7-17(14)26-19/h4-10H,3,11H2,1-2H3
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InChIKey
LYPUEUYDSSRLQW-UHFFFAOYSA-N
Physicochemical Property
logP
4.7384
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
54.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 57920524
ChEMBL ID
CHEMBL3900214
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 = 15 nM
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