General Information of the Compound
Compound ID
CP0091077
Compound Name
N-[3-chloro-4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide
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Structure
Formula
C19H12Cl2FN3O2
Molecular Weight
404.228
Canonical SMILES
Fc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2Cl)c(Cl)c1
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InChI
InChI=1S/C19H12Cl2FN3O2/c20-14-9-11(22)4-6-13(14)18(26)25-16-7-5-12(10-15(16)21)24-19(27)17-3-1-2-8-23-17/h1-10H,(H,24,27)(H,25,26)
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InChIKey
IUDNWUABFDZWBF-UHFFFAOYSA-N
Physicochemical Property
logP
5.0321
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 51003325
SID: 117686567
ChEMBL ID
CHEMBL1672245
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 = 114 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 = 169 nM
   TI
   LI
   LO
   TS