General Information of the Compound
Compound ID
CP0482805
Compound Name
US9434711, 25
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Structure
Formula
C23H19F2NO3S2
Molecular Weight
459.539
Canonical SMILES
COc1cccc(c1)S(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C
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InChI
InChI=1S/C23H19F2NO3S2/c1-15-19-8-3-4-9-22(19)30-23(15)26(14-16-10-11-20(24)21(25)12-16)31(27,28)18-7-5-6-17(13-18)29-2/h3-13H,14H2,1-2H3
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InChIKey
SGYRYRBWUPCINF-UHFFFAOYSA-N
Physicochemical Property
logP
5.89202
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 66906984
ChEMBL ID
CHEMBL3947128
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 = 21 nM
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