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CHEBI:756795 - jtk-853

Default Structure
ChEBI IDCHEBI:756795
ChEBI Namejtk-853
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H23F7N6O4S2
Net Charge0
Average Mass704.650
Monoisotopic Mass704.11104
SMILESO=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H23F7N6O4S2/c29-19-11-15(1-8-21(19)45-28(33,34)35)12-37-25(42)20-14-40(26-39-24-22(46-26)13-36-23(38-24)16-2-3-16)9-10-41(20)47(43,44)18-6-4-17(5-7-18)27(30,31)32/h1,4-8,11,13,16,20H,2-3,9-10,12,14H2,(H,37,42)/t20-/m1/s1
InChIKeyJQLOVYLALGSISI-HXUWFJFHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
jtk-853 (CHEBI:756795) has role antiinfective agent (CHEBI:35441)
jtk-853 (CHEBI:756795) is a N-arylpiperazine (CHEBI:46848)
Synonym  Source
Jtk-853ChEMBL