General Information of the Compound
Compound ID
CP0540434
Compound Name
N-(2-chloropyridin-4-yl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
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Structure
Formula
C17H14ClFN4O
Molecular Weight
344.777
Canonical SMILES
Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
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InChI
InChI=1S/C17H14ClFN4O/c1-10-16(17(24)22-13-7-8-20-15(18)9-13)21-11(2)23(10)14-5-3-12(19)4-6-14/h3-9H,1-2H3,(H,20,22,24)
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InChIKey
SGGNQTJRZANWCP-UHFFFAOYSA-N
Physicochemical Property
logP
3.92894
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 71718942
ChEMBL ID
CHEMBL2346735
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 62 nM
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