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Compound IDNVIC0042
Compound Structure
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InhibitorG2
SMILESCN1C(=O)N(C)C2=NC(=NC(SCC(=O)NCCC3=CC=CC=C3)=C2C1=O)C1=CC=CO1
PubChem ID 22581503
Drug Bank ID\N
ChemSpider ID20433096
Targetattachment glycoprotein (Niv-G)
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 attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)451.50
H-bond Acceptor9
H-bond Donor1
No. of Rotatable Bonds8
LogP2.13
Topological Polar Surface Area (Å)137.32
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com