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Compound IDNVIC0005
Compound Structure
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InhibitorG3
SMILESO=C(CSC1=NN=NN1C1=CC=CC2=C1C=CC=C2)N1CCCC2=C1C=CC=C2
PubChem ID 1042364
Drug Bank ID\N
ChemSpider ID894998
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)401.49
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds5
LogP3.95
Topological Polar Surface Area (Å)89.21
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com