EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:758098 - cravacitinib

Default Structure
ChEBI IDCHEBI:758098
ChEBI Namecravacitinib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H22N8O3
Net Charge0
Average Mass422.449
Monoisotopic Mass422.18149
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
InChIKeyBZZKEPGENYLQSC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cravacitinib (CHEBI:758098) is a triazoles (CHEBI:35727)
Synonym  Source
CravacitinibChEMBL