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Compound IDNVIC0036
Compound Structure
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Inhibitor(5Z)-5-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-[(2R,6R)-2,6-dimethylmor pholin-4-yl]-1,3-thiazol-4-one
SMILESCC1CN(CC(O1)C)C2=NC(=O)C(=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)S2
PubChem ID 1784648
Drug Bank ID\N
ChemSpider ID1402075
Targetattachment glycoprotein (Niv-G)
Assay Typevirtual screening, molecular docking and ADMET prediction
Assay DescriptionADME/Tox filter server
Assay SourceZINC database
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcomeinhibition of attachment glycoprotein (Niv-G)
Molecular Weight (in g/mol)484.58
H-bond Acceptor6
H-bond Donor0
No. of Rotatable Bonds4
LogP6.63
Topological Polar Surface Area (Å)97.64
PUBMED ID\N
Referencehttps://www.omicsonline.org/open-access/virtual-screening-for-identification-of-small-lead-compound-inhibitors-ofnipah-virus-attachment-glycoprotein-2153-0645-1000180.pdf
Curator Email IDnishisharmacool14@gmail.com