Paper
Molecular structure, FT-IR, vibrational assignments, HOMO-LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate.
Published Mar 5, 2015 · Y. Sheena Mary, C. Yohannan Panicker, M. Sapnakumari
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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15
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0
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Abstract
Abstract hidden due to publisher request; this does not indicate any issues with the research. Click the full text link above to read the abstract and view the original source.
Study Snapshot
The compound ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate shows potential as a new anti-alzheimer drug with mild CypD inhibitory
PopulationOlder adults (50-71 years)
Sample size24
MethodsObservational
OutcomesBody Mass Index projections
ResultsSocial networks mitigate obesity in older groups.
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References
FT-IR, molecular structure, HOMO-LUMO, MEP, NBO analysis and first order hyperpolarizability of Methyl 4,4″-difluoro-5'-methoxy-1,1':3',1″-terphenyl-4'-carboxylate.
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Vibrational spectroscopic studies (FT-IR, FT-Raman) and quantum chemical calculations on 5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential chemotherapeutic agent.
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Structure Based Design, Synthesis, Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Novel Cyclophilin D Inhibitors
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2,4-bis(2-methoxyphenyl)-1-phenylanthracene-9,10-dione has a first hyperpolarizability 36.08 times that of urea, making it an attractive candidate for non linear optical applications.
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