General Information of the Compound
Compound ID
CP0450467
Compound Name
3,5-Difluoro-N-(6-methylpyridin-2-yl)-benzamide
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Structure
Formula
C13H10F2N2O
Molecular Weight
248.232
Canonical SMILES
Cc1cccc(NC(=O)c2cc(F)cc(F)c2)n1
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InChI
InChI=1S/C13H10F2N2O/c1-8-3-2-4-12(16-8)17-13(18)9-5-10(14)7-11(15)6-9/h2-7H,1H3,(H,16,17,18)
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InChIKey
RPGWGTLMQJSDOB-UHFFFAOYSA-N
Physicochemical Property
logP
2.92052
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 24246632
SID: 85158415
ChEMBL ID
CHEMBL468526
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 7580 nM
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