EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:759171 - gemlapodect

Default Structure
ChEBI IDCHEBI:759171
ChEBI Namegemlapodect
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H21N7O3
Net Charge0
Average Mass431.456
Monoisotopic Mass431.17059
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H21N7O3/c1-27-19(17(14-23-27)22(31)28-9-11-32-12-10-28)21(30)24-16-7-8-29-18(13-16)25-20(26-29)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,24,30)
InChIKeyMMCSMWHWVGGCGL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
gemlapodect (CHEBI:759171) is a triazoles (CHEBI:35727)
INN  Source
gemlapodectWHO MedNet