General Information of the Compound
Compound ID
CP0486338
Compound Name
US9434711, 672
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Structure
Formula
C15H15F6NO2S2
Molecular Weight
419.412
Canonical SMILES
Cc1c(sc2ccccc12)N(CCCC(F)(F)F)S(=O)(=O)CC(F)(F)F
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InChI
InChI=1S/C15H15F6NO2S2/c1-10-11-5-2-3-6-12(11)25-13(10)22(8-4-7-14(16,17)18)26(23,24)9-15(19,20)21/h2-3,5-6H,4,7-9H2,1H3
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InChIKey
PFWYUUWQQQNJCF-UHFFFAOYSA-N
Physicochemical Property
logP
5.25072
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 87199072
ChEMBL ID
CHEMBL3902273
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 = 74.9 nM
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