General Information of the Compound
Compound ID
CP0478308
Compound Name
N-(1H-benzimidazol-2-yl)-4-(trifluoromethyl)benzamide
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Structure
Formula
C15H10F3N3O
Molecular Weight
305.259
Canonical SMILES
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
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InChI
InChI=1S/C15H10F3N3O/c16-15(17,18)10-7-5-9(6-8-10)13(22)21-14-19-11-3-1-2-4-12(11)20-14/h1-8H,(H2,19,20,21,22)
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InChIKey
SEJAPVINNLUNSG-UHFFFAOYSA-N
Physicochemical Property
logP
3.834
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 4812603
ChEMBL ID
CHEMBL3401721
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: PT06161, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 59000 nM
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