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Compound IDNVIC0133
Compound Structure
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Inhibitorfagopyritol B3
SMILESC(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4C(C(C(C(C4O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
PubChem ID 9896047
Drug Bank ID\N
ChemSpider ID30777084
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)666.58
H-bond Acceptor21
H-bond Donor15
No. of Rotatable Bonds9
LogP-9.99
Topological Polar Surface Area (Å)358.83
PUBMED ID37222609
Referencehttps://pubmed.ncbi.nlm.nih.gov/37222609/
Curator Email IDbhupender.thakur855@gmail.com