B.S. Chethan
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View article: Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4)2CuII(Me2N-Py)4 complex: S9/S6/C-H…O synthons, thermal, physicochemical and 1BNA-docking
Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4)2CuII(Me2N-Py)4 complex: S9/S6/C-H…O synthons, thermal, physicochemical and 1BNA-docking Open
The synthesis of the trans-(ClO4)2CuII(Me2N-Py)4 complex (where Me2N-Py = N,N-dimethylpyridin-4-amine ligand) in significant yield involved the reaction of excess Me2N-Py ligand with Cu(ClO4)2·6H2O in MeOH solvent. The progression of the c…
View article: A novel pyrazole derivative as COVID-19 main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach
A novel pyrazole derivative as COVID-19 main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach Open
2-(3‑bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-8-methyl-4H benzo[d][1,3]oxazin-4-one (2-BCBO) compound, was synthesized by the reaction of 3‑bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid in acetonitrile and methane sul…
View article: Multicomponent synthesis, structural and molecular dynamics simulation studies of a novel spirooxindole derivative
Multicomponent synthesis, structural and molecular dynamics simulation studies of a novel spirooxindole derivative Open
The 4′-(4-chlorobenzoyl)-3,-(2,6-dichlorophenyl)-1′-methylspiro(indole-3,2′-pyrrolidin)-2(1H)-one (SOD1) compound has been synthesized and the single crystals are grown by the slow evaporation method using ethanol. Initially, FT-IR and NMR…
View article: CCDC 2203503: Experimental Crystal Structure Determination
CCDC 2203503: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2201838: Experimental Crystal Structure Determination
CCDC 2201838: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2144607: Experimental Crystal Structure Determination
CCDC 2144607: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1987659: Experimental Crystal Structure Determination
CCDC 1987659: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1987660: Experimental Crystal Structure Determination
CCDC 1987660: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2131066: Experimental Crystal Structure Determination
CCDC 2131066: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2086313: Experimental Crystal Structure Determination
CCDC 2086313: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2086194: Experimental Crystal Structure Determination
CCDC 2086194: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2086190: Experimental Crystal Structure Determination
CCDC 2086190: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 985859: Experimental Crystal Structure Determination
CCDC 985859: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2053432: Experimental Crystal Structure Determination
CCDC 2053432: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …