General Information of the Compound
Compound ID
CP0546128
Compound Name
3,4-dihydro-2H-pyrazino[1,2-a]benzimidazol-1-one
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Structure
Formula
C10H9N3O
Molecular Weight
187.202
Canonical SMILES
O=C1NCCn2c1nc1ccccc21
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InChI
InChI=1S/C10H9N3O/c14-10-9-12-7-3-1-2-4-8(7)13(9)6-5-11-10/h1-4H,5-6H2,(H,11,14)
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InChIKey
XYSOTIPEODPZTL-UHFFFAOYSA-N
Physicochemical Property
logP
0.7797
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 24974389
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000064 Chem-1 Rattus norvegicus (Rat)  1
1
EC50 > 30000 nM
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