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Compound IDNVIC0109
Compound Structure
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InhibitorTriphosphopyridine nucleotide
SMILESC1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N
PubChem ID 5885
Drug Bank IDDB03461
ChemSpider ID5674
TargetNon-Structural Protein - C
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 Non-Structural Protein - C
Molecular Weight (in g/mol)743.41
H-bond Acceptor23
H-bond Donor8
No. of Rotatable Bonds13
LogP-1.18
Topological Polar Surface Area (Å)397.05
PUBMED ID37222609
Referencehttps://pubmed.ncbi.nlm.nih.gov/37222609/
Curator Email IDbhupender.thakur855@gmail.com