General Information of the Compound
Compound ID
CP0476724
Compound Name
N-[(S)-(3-fluoropyridin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
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Structure
Formula
C19H12F5N3O3
Molecular Weight
425.313
Canonical SMILES
Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(OC(F)(F)F)c(F)c1
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InChI
InChI=1S/C19H12F5N3O3/c20-12-2-1-7-25-17(12)16(27-18(29)11-4-6-15(28)26-9-11)10-3-5-14(13(21)8-10)30-19(22,23)24/h1-9,16H,(H,26,28)(H,27,29)/t16-/m0/s1
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InChIKey
KZJHWEJVIDNHJM-INIZCTEOSA-N
Physicochemical Property
logP
3.4661
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
84.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 71144083
SID: 163487951
ChEMBL ID
CHEMBL4243837
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 = 9 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 = 9 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