General Information of the Compound
Compound ID
CP0389434
Compound Name
6-oxo-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]-1H-pyridine-3-carboxamide
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Structure
Formula
C20H13F6N3O2
Molecular Weight
441.331
Canonical SMILES
FC(F)(F)c1ccc(cc1)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C20H13F6N3O2/c21-19(22,23)13-6-3-11(4-7-13)16(17-14(20(24,25)26)2-1-9-27-17)29-18(31)12-5-8-15(30)28-10-12/h1-10,16H,(H,28,30)(H,29,31)/t16-/m0/s1
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InChIKey
FHDVDXXLSCUTNI-INIZCTEOSA-N
Physicochemical Property
logP
4.3269
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 71502345
SID: 163486795
ChEMBL ID
CHEMBL4251427
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
Protein ID: PT06117, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS