General Information of the Compound
Compound ID
CP0380298
Compound Name
1-(2,2-dimethylpropyl)-3-methyl-5-(5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)imidazo[4,5-b]pyridin-2-one
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Structure
Formula
C22H29N7O
Molecular Weight
407.522
Canonical SMILES
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CC2CCC1CN2c1ncccn1
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InChI
InChI=1S/C22H29N7O/c1-22(2,3)14-29-17-8-9-18(25-19(17)26(4)21(29)30)27-12-16-7-6-15(27)13-28(16)20-23-10-5-11-24-20/h5,8-11,15-16H,6-7,12-14H2,1-4H3
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InChIKey
KXDNFDRKJLVHTK-UHFFFAOYSA-N
Physicochemical Property
logP
2.4287
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
72.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 69929785
ChEMBL ID
CHEMBL3804845
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 37 nM
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