General Information of the Compound
Compound ID
CP0374321
Compound Name
5-Fluoro-2'-methyl-N-(6-methylpyridin-2-yl)biphenyl-3-carboxamide
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Structure
Formula
C20H17FN2O
Molecular Weight
320.367
Canonical SMILES
Cc1cccc(NC(=O)c2cc(F)cc(c2)-c2ccccc2C)n1
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InChI
InChI=1S/C20H17FN2O/c1-13-6-3-4-8-18(13)15-10-16(12-17(21)11-15)20(24)23-19-9-5-7-14(2)22-19/h3-12H,1-2H3,(H,22,23,24)
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InChIKey
CJCKZKHIPRLAKA-UHFFFAOYSA-N
Physicochemical Property
logP
4.75684
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44157094
SID: 85157021
ChEMBL ID
CHEMBL467485
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 610 nM
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