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Compound IDNVIC0126
Compound Structure
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Inhibitor7,7-Dimethyl-1-(4-methylphenyl)-3-(4-morpholinylcarbonyl)-7,8-dihydro-2,5(1H,6H)-quinolinedione
SMILESCC1=CC=C(C=C1)N1C(=O)C(=CC2=C1CC(C)(C)CC2=O)C(=O)N1CCOCC1
PubChem ID \N
Drug Bank ID\N
ChemSpider ID\N
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)394.46
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds3
LogP2.71
Topological Polar Surface Area (Å)68.61
PUBMED ID36036362
Referencehttps://pubmed.ncbi.nlm.nih.gov/36036362/
Curator Email IDbhupender.thakur855@gmail.com