EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:749634 - itx-5061 free base

Default Structure
ChEBI IDCHEBI:749634
ChEBI Nameitx-5061 free base
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC30H37N3O7S
Net Charge0
Average Mass583.707
Monoisotopic Mass583.23522
SMILESCOc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C30H37N3O7S/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35)
InChIKeyUUROSJLZNDSXRF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
itx-5061 free base (CHEBI:749634) is a naphthalenes (CHEBI:25477)
Citations