General Information of the Compound
Compound ID
CP0561215
Compound Name
US9434711, 308
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Structure
Formula
C24H17F4NO3S2
Molecular Weight
507.53
Canonical SMILES
CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1cc2ccccc2s1
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InChI
InChI=1S/C24H17F4NO3S2/c1-15(30)17-7-9-19(10-8-17)34(31,32)29(23-13-18-4-2-3-5-22(18)33-23)14-16-6-11-21(25)20(12-16)24(26,27)28/h2-13H,14H2,1H3
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InChIKey
HSGREIBZORYKFU-UHFFFAOYSA-N
Physicochemical Property
logP
6.6573
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
54.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 66907688
ChEMBL ID
CHEMBL3913583
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 = 69.8 nM
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