General Information of the Compound
Compound ID
CP0497988
Compound Name
6-Chloro-pyrazine-2-carboxylic acid pyridin-2-ylamide
    Show/Hide
Structure
Formula
C10H7ClN4O
Molecular Weight
234.646
Canonical SMILES
Clc1cncc(n1)C(=O)Nc1ccccn1
    Show/Hide
InChI
InChI=1S/C10H7ClN4O/c11-8-6-12-5-7(14-8)10(16)15-9-3-1-2-4-13-9/h1-6H,(H,13,15,16)
    Show/Hide
InChIKey
ZBPVIHJRINAVPO-UHFFFAOYSA-N
Physicochemical Property
logP
1.7773
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
67.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11402081
SID: 16497383
ChEMBL ID
CHEMBL178841
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 254 nM
   TI
   LI
   LO
   TS