General Information of the Compound
Compound ID
CP0358813
Compound Name
4-butoxy-N-(2,4-difluorophenyl)benzamide
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Synonyms
VU 0357121
VU0357121
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Structure
Formula
C17H17F2NO2
Molecular Weight
305.324
Canonical SMILES
CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
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InChI
InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
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InChIKey
AHCYOTLTLQTPSU-UHFFFAOYSA-N
Physicochemical Property
logP
4.396
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
38.33
Hydrogen Bond Donor Count
1
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: 2296132
ChEMBL ID
CHEMBL2151790
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
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 33 nM
   TI
   LI
   LO
   TS
2
Ki > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 33 nM
Clinical Information about the Compound
Drug 1 ( VU0357121 )
Drug Name VU0357121
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator (allosteric modulator)