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CHEBI:755147 - deleobuvir sodium

Default Structure
ChEBI IDCHEBI:755147
ChEBI Namedeleobuvir sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C34H32BrN6O3
Net Charge0
Average Mass675.563
Monoisotopic Mass674.16170
SMILESCn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)[O-])cc21.[Na+]
InChIInChI=1S/C34H33BrN6O3.Na/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2;/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43);/q;+1/p-1/b13-9+;
InChIKeyYJADTGFGJMFOLM-KJEVSKRMSA-M
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
deleobuvir sodium (CHEBI:755147) has role antiviral agent (CHEBI:22587)
deleobuvir sodium (CHEBI:755147) is a indolecarboxamide (CHEBI:46921)
Synonyms  Source
BI 207127 NAChEMBL
BI-207127 NAChEMBL
BI-207127NAChEMBL
BI-207127 SODIUM SALTChEMBL
Deleobuvir sodiumChEMBL