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CHEBI:751593 - nivocasan

Default Structure
ChEBI IDCHEBI:751593
ChEBI Namenivocasan
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H22FN3O5
Net Charge0
Average Mass415.421
Monoisotopic Mass415.15435
SMILESCC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2nccc3ccccc23)=NO1
InChIInChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1
InChIKeyVYFGDLGHHBUDTQ-ZLGUVYLKSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
nivocasan (CHEBI:751593) has role antiviral agent (CHEBI:22587)
nivocasan (CHEBI:751593) is a isoquinolines (CHEBI:24922)
INN  Source
nivocasanWHO MedNet
Synonyms  Source
GS-9450ChEMBL
LB-84451ChEMBL
LB84451ChEMBL