CHEBI:112706 - 7-[4-[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[4-[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
ChEBI ID CHEBI:112706
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22BrFN4O4S
Net Charge 0
Average Mass 561.425
Monoisotopic Mass 560.05292
InChI InChI=1S/C24H22BrFN4O4S/c1-2-28-13-17(23(33)34)21(31)16-11-18(26)20(12-19(16)28)29-7-9-30(10-8-29)24(35)27-22(32)14-3-5-15(25)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
InChIKey GSFVYQNRFITLTB-UHFFFAOYSA-N
SMILES CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)Br)F)C(=O)O
ChEBI Ontology
Outgoing 7-[4-[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid (CHEBI:112706) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-24116 LINCS
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