General Information of the Compound
Compound ID
CP0396485
Compound Name
N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
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Structure
Formula
C21H13F7N2O
Molecular Weight
442.334
Canonical SMILES
Fc1cc(ccc1C(F)(F)F)[C@H](NC(=O)c1ccccc1)c1ncccc1C(F)(F)F
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InChI
InChI=1S/C21H13F7N2O/c22-16-11-13(8-9-14(16)20(23,24)25)17(30-19(31)12-5-2-1-3-6-12)18-15(21(26,27)28)7-4-10-29-18/h1-11,17H,(H,30,31)/t17-/m0/s1
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InChIKey
FLZVLAPGXOLSCM-KRWDZBQOSA-N
Physicochemical Property
logP
5.7777
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 71502347
SID: 163486799
ChEMBL ID
CHEMBL4247395
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 = 27 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 = 43 nM
   TI
   LI
   LO
   TS