General Information of the Compound
Compound ID
CP0537400
Compound Name
US9434711, 192
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Structure
Formula
C24H16BrF4NO4S2
Molecular Weight
602.425
Canonical SMILES
COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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InChI
InChI=1S/C24H16BrF4NO4S2/c1-34-23(31)15-7-9-16(10-8-15)36(32,33)30(22-21(25)17-4-2-3-5-20(17)35-22)13-14-6-11-19(26)18(12-14)24(27,28)29/h2-12H,13H2,1H3
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InChIKey
DMOQQYOVEUFDSE-UHFFFAOYSA-N
Physicochemical Property
logP
7.0038
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
63.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 57920533
ChEMBL ID
CHEMBL3904208
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 = 60 nM
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