General Information of the Compound
Compound ID
CP0486089
Compound Name
7-[3-chloro-4-(oxan-4-ylamino)phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
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Structure
Formula
C21H18ClF3N4O
Molecular Weight
434.849
Canonical SMILES
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CCOCC2)c(Cl)c1
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InChI
InChI=1S/C21H18ClF3N4O/c22-18-9-13(1-2-19(18)28-14-4-7-30-8-5-14)16-3-6-29-15(10-21(23,24)25)12-27-20(29)17(16)11-26/h1-3,6,9,12,14,28H,4-5,7-8,10H2
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InChIKey
BBNKDZBMZPPMNB-UHFFFAOYSA-N
Physicochemical Property
logP
5.22208
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
62.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71460259
ChEMBL ID
CHEMBL2152108
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 = 710 nM
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