General Information of the Compound
Compound ID
CP0413660
Compound Name
8-chloro-7-(7-chloro-1H-indol-5-yl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
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Structure
Formula
C17H10Cl2F3N3
Molecular Weight
384.188
Canonical SMILES
FC(F)(F)Cc1cnc2c(Cl)c(ccn12)-c1cc(Cl)c2[nH]ccc2c1
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InChI
InChI=1S/C17H10Cl2F3N3/c18-13-6-10(5-9-1-3-23-15(9)13)12-2-4-25-11(7-17(20,21)22)8-24-16(25)14(12)19/h1-6,8,23H,7H2
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InChIKey
ZNUAFMBRIADMMH-UHFFFAOYSA-N
Physicochemical Property
logP
5.8942
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
33.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 58081135
SID: 144076575
ChEMBL ID
CHEMBL2152121
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 = 85 nM
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