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CHEBI:748868 - tg100-801

Default Structure
ChEBI IDCHEBI:748868
ChEBI Nametg100-801
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC33H30ClN5O3
Net Charge0
Average Mass580.088
Monoisotopic Mass579.20372
SMILESCc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
InChIInChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
InChIKeyJMGXJHWTVBGOKG-UHFFFAOYSA-N
Roles Classification
Application:
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
ChEBI Ontology
Outgoing Relation(s)
tg100-801 (CHEBI:748868) has role ophthalmology drug (CHEBI:66981)
tg100-801 (CHEBI:748868) is a carbonyl compound (CHEBI:36586)
Synonym  Source
Tg100-801ChEMBL
Citations