EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759609 - idrx-42

Default Structure
ChEBI IDCHEBI:759609
ChEBI Nameidrx-42
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H32N8O
Net Charge0
Average Mass508.630
Monoisotopic Mass508.26991
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCCN6CCCC6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)
InChIKeyLVMAULGVWBINFP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
idrx-42 (CHEBI:759609) is a pyrazoles (CHEBI:26410)
idrx-42 (CHEBI:759609) is a ring assembly (CHEBI:36820)
Synonyms  Source
Idrx-42ChEMBL
M-4205ChEMBL
Citations