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Compound IDNVIC0027
Compound Structure
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InhibitorComp10694
SMILESCC1CC23CC4C(C5(CC4(C[N+]2(C1)[O-])N(C3=O)C)C6=C(C7=C(C=C6)OC(CC7=O)(C)C)NC5=O)(C)C
PubChem ID 156583043
Drug Bank ID\N
ChemSpider ID32675150
TargetRNA-dependent RNA polymerase (RdRp)
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 RNA-dependent RNA polymerase (RdRp)
Molecular Weight (in g/mol)493.59
H-bond Acceptor7
H-bond Donor1
No. of Rotatable Bonds0
LogP3.41
Topological Polar Surface Area (Å)105.14
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com