General Information of the Compound
Compound ID
CP0377237
Compound Name
N-[3-chloro-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-2-carboxamide
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Structure
Formula
C19H13ClFN3O2
Molecular Weight
369.783
Canonical SMILES
Fc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
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InChI
InChI=1S/C19H13ClFN3O2/c20-14-11-12(23-19(26)17-7-3-4-10-22-17)8-9-16(14)24-18(25)13-5-1-2-6-15(13)21/h1-11H,(H,23,26)(H,24,25)
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InChIKey
QZSQUSWYSVWWGC-UHFFFAOYSA-N
Physicochemical Property
logP
4.3787
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 51003327
SID: 117686569
ChEMBL ID
CHEMBL1672247
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 = 2380 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 = 4390 nM
   TI
   LI
   LO
   TS