General Information of the Compound
Compound ID
CP0430197
Compound Name
3,5-Diamino-6-chloro-pyrazine-2-carboxylic acid pyridin-2-ylamide
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Structure
Formula
C10H9ClN6O
Molecular Weight
264.676
Canonical SMILES
Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
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InChI
InChI=1S/C10H9ClN6O/c11-7-9(13)17-8(12)6(16-7)10(18)15-5-3-1-2-4-14-5/h1-4H,(H4,12,13,17)(H,14,15,18)
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InChIKey
UIOINPHYMCOKNA-UHFFFAOYSA-N
Physicochemical Property
logP
0.9417
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
119.81
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 44389261
ChEMBL ID
CHEMBL181610
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 = 3800 nM
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