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Compound IDNVIC0041
Compound Structure
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InhibitorG1
SMILESCC1=CC=C(CN2C(CO)=CN=C2SCC(=O)N2CCCC3=C2C=CC=C3)C=C1
PubChem ID 22576158
Drug Bank ID\N
ChemSpider ID20426133
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)407.53
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bonds7
LogP3.87
Topological Polar Surface Area (Å)83.66
PUBMED ID33450550
Referencehttps://pubmed.ncbi.nlm.nih.gov/33450550/
Curator Email IDbhupender.thakur855@gmail.com