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CHEBI:757703 - tbaj-587

Default Structure
ChEBI IDCHEBI:757703
ChEBI Nametbaj-587
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC30H33BrFN3O5
Net Charge0
Average Mass614.512
Monoisotopic Mass613.15876
SMILESCOc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2cccc(OC)c2F)cc(OC)n1
InChIInChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1
InChIKeyJJEGOJPMKLRSPJ-POURPWNDSA-N
Roles Classification
Biological Role:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
tbaj-587 (CHEBI:757703) has role antitubercular agent (CHEBI:33231)
tbaj-587 (CHEBI:757703) is a quinolone (CHEBI:23765)
Synonym  Source
Tbaj-587ChEMBL
Citations