General Information of the Compound
Compound ID
CP0566335
Compound Name
US9434711, 112
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Structure
Formula
C15H19NO2S2
Molecular Weight
309.456
Canonical SMILES
CCS(=O)(=O)N(CC1CC1)c1sc2ccccc2c1C
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InChI
InChI=1S/C15H19NO2S2/c1-3-20(17,18)16(10-12-8-9-12)15-11(2)13-6-4-5-7-14(13)19-15/h4-7,12H,3,8-10H2,1-2H3
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InChIKey
DIKKRYKXOIBIGL-UHFFFAOYSA-N
Physicochemical Property
logP
3.77582
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 66907713
ChEMBL ID
CHEMBL3945966
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 = 30.2 nM
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