General Information of the Compound
Compound ID
CP0555932
Compound Name
US9434711, 363
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Structure
Formula
C14H19NO2S2
Molecular Weight
297.445
Canonical SMILES
CCCCN(c1sc2ccccc2c1C)S(C)(=O)=O
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InChI
InChI=1S/C14H19NO2S2/c1-4-5-10-15(19(3,16)17)14-11(2)12-8-6-7-9-13(12)18-14/h6-9H,4-5,10H2,1-3H3
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InChIKey
RFBUVZAXYBOAKW-UHFFFAOYSA-N
Physicochemical Property
logP
3.77582
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 66907570
ChEMBL ID
CHEMBL3949997
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 = 51 nM
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