General Information of the Compound
Compound ID
CP0494411
Compound Name
7-[3-chloro-4-(cyclopropylamino)phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
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Structure
Formula
C19H14ClF3N4
Molecular Weight
390.796
Canonical SMILES
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(NC2CC2)c(Cl)c1
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InChI
InChI=1S/C19H14ClF3N4/c20-16-7-11(1-4-17(16)26-12-2-3-12)14-5-6-27-13(8-19(21,22)23)10-25-18(27)15(14)9-24/h1,4-7,10,12,26H,2-3,8H2
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InChIKey
IIMVLDPGRVITQN-UHFFFAOYSA-N
Physicochemical Property
logP
5.20548
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
53.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 46227787
SID: 96097961
ChEMBL ID
CHEMBL593168
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 = 141.25 nM
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