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Compound IDNVIC0007
Compound Structure
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InhibitorComp4641
SMILESCC(C)CC1C(=O)N2C(N1)C3(CC4C(=O)NC(O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
PubChem ID 10552917
Drug Bank ID\N
ChemSpider ID8728308
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)485.53
H-bond Acceptor9
H-bond Donor2
No. of Rotatable Bonds2
LogP2.97
Topological Polar Surface Area (Å)105.56
PUBMED ID36907056
Referencehttps://pubmed.ncbi.nlm.nih.gov/36907056/
Curator Email IDbhupender.thakur855@gmail.com