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Compound IDNVIC0024
Compound Structure
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Inhibitor3-(beta-D-Glucopyranosyloxy)-8-(beta-D-glucopyranuronosyloxy)-3',4',5,7-tetrahydroxyflavone
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O
PubChem ID 14887603
Drug Bank ID\N
ChemSpider ID\N
TargetNon-Structural Protein - C
Assay Typemolecular docking and simulation
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of Non-Structural Protein - C
Molecular Weight (in g/mol)656.50
H-bond Acceptor19
H-bond Donor12
No. of Rotatable Bonds7
LogP-3.27
Topological Polar Surface Area (Å)326.96
PUBMED ID37222609
Referencehttps://pubmed.ncbi.nlm.nih.gov/37222609/
Curator Email IDbhupender.thakur855@gmail.com