General Information of the Compound
Compound ID
CP0446569
Compound Name
3-Amino-6-chloro-pyrazine-2-carboxylic acid (6-methyl-pyridin-2-yl)-amide
    Show/Hide
Structure
Formula
C11H10ClN5O
Molecular Weight
263.688
Canonical SMILES
Cc1cccc(NC(=O)c2nc(Cl)cnc2N)n1
    Show/Hide
InChI
InChI=1S/C11H10ClN5O/c1-6-3-2-4-8(15-6)17-11(18)9-10(13)14-5-7(12)16-9/h2-5H,1H3,(H2,13,14)(H,15,17,18)
    Show/Hide
InChIKey
BRTMFTZMPQRINR-UHFFFAOYSA-N
Physicochemical Property
logP
1.66792
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
93.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 11219258
SID: 16302273
ChEMBL ID
CHEMBL361973
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 = 5 nM
   TI
   LI
   LO
   TS