General Information of the Compound
Compound ID
CP0389429
Compound Name
N-[(S)-(3-fluoropyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
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Structure
Formula
C19H13F4N3O2
Molecular Weight
391.324
Canonical SMILES
Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C19H13F4N3O2/c20-14-2-1-9-24-17(14)16(11-3-6-13(7-4-11)19(21,22)23)26-18(28)12-5-8-15(27)25-10-12/h1-10,16H,(H,25,27)(H,26,28)/t16-/m0/s1
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InChIKey
IJTSMWHYNKDXNG-INIZCTEOSA-N
Physicochemical Property
logP
3.4472
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 71144348
SID: 163486796
ChEMBL ID
CHEMBL4248077
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 = 10 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 = 15 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 = 21 nM
   TI
   LI
   LO
   TS