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CHEBI:749646 - bms-582949

Default Structure
ChEBI IDCHEBI:749646
ChEBI Namebms-582949
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC22H26N6O2
Net Charge0
Average Mass406.490
Monoisotopic Mass406.21172
SMILESCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C
InChIInChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)
InChIKeyGDTQLZHHDRRBEB-UHFFFAOYSA-N
Roles Classification
Applications:
antipsoriatic  A drug used to treat psoriasis.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
bms-582949 (CHEBI:749646) has role antipsoriatic (CHEBI:50748)
bms-582949 (CHEBI:749646) has role antirheumatic drug (CHEBI:35842)
bms-582949 (CHEBI:749646) is a benzamides (CHEBI:22702)
Synonyms  Source
Bms 582949ChEMBL
Bms-582949ChEMBL
PS-540446ChEMBL
Citations