General Information of the Compound
Compound ID
CP0573555
Compound Name
2,5-dimethyl-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
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Structure
Formula
C19H17F3N4O
Molecular Weight
374.366
Canonical SMILES
Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(cc1)C(F)(F)F
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InChI
InChI=1S/C19H17F3N4O/c1-11-5-4-6-16(23-11)25-18(27)17-12(2)26(13(3)24-17)15-9-7-14(8-10-15)19(20,21)22/h4-10H,1-3H3,(H,23,25,27)
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InChIKey
COWWXPQCHYUANA-UHFFFAOYSA-N
Physicochemical Property
logP
4.46366
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
59.81
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: 71580334
SID: 163625873
ChEMBL ID
CHEMBL2346729
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 = 46.2 nM
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