General Information of the Compound
Compound ID
CP0486091
Compound Name
7-(7-chloro-1H-indol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
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Structure
Formula
C18H10ClF3N4
Molecular Weight
374.753
Canonical SMILES
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
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InChI
InChI=1S/C18H10ClF3N4/c19-15-6-11(5-10-1-3-24-16(10)15)13-2-4-26-12(7-18(20,21)22)9-25-17(26)14(13)8-23/h1-6,9,24H,7H2
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InChIKey
HAPVHUPVAOOCOS-UHFFFAOYSA-N
Physicochemical Property
logP
5.11248
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
56.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 46215876
SID: 96070242
ChEMBL ID
CHEMBL2152116
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 = 320 nM
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