General Information of the Compound
Compound ID
CP0360597
Compound Name
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide
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Structure
Formula
C20H12F6N2O
Molecular Weight
410.317
Canonical SMILES
FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
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InChI
InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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InChIKey
YOCQLGXBNLZHFA-UHFFFAOYSA-N
Physicochemical Property
logP
6.0385
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 11661499
SID: 16765175
ChEMBL ID
CHEMBL378563
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
2
IC50 = 13 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM