General Information of the Compound
Compound ID
CP0377235
Compound Name
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
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Structure
Formula
C20H13ClF3N3O2
Molecular Weight
419.79
Canonical SMILES
FC(F)(F)c1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
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InChI
InChI=1S/C20H13ClF3N3O2/c21-15-6-2-1-5-13(15)18(28)27-16-9-8-12(11-14(16)20(22,23)24)26-19(29)17-7-3-4-10-25-17/h1-11H,(H,26,29)(H,27,28)
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InChIKey
VOEOWZAMUAVMLK-UHFFFAOYSA-N
Physicochemical Property
logP
5.2584
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 51003281
SID: 117686516
ChEMBL ID
CHEMBL1672239
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2090 nM
   TI
   LI
   LO
   TS
Protein ID: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2360 nM
   TI
   LI
   LO
   TS