General Information of the Compound
Compound ID
CP0573243
Compound Name
6-chloro-2-(cyclopropylmethyl)-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
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Structure
Formula
C14H14ClN3O
Molecular Weight
275.739
Canonical SMILES
Clc1cccc2nc3C(=O)N(CC4CC4)CCn3c12
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InChI
InChI=1S/C14H14ClN3O/c15-10-2-1-3-11-12(10)18-7-6-17(8-9-4-5-9)14(19)13(18)16-11/h1-3,9H,4-8H2
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InChIKey
MHGDLTRGGROAQK-UHFFFAOYSA-N
Physicochemical Property
logP
2.5555
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
38.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 166630051
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 = 390 nM
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