EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:758580 - parent of bms-986202

Default Structure
ChEBI IDCHEBI:758580
ChEBI Nameparent of bms-986202
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H21FN6O3
Net Charge0
Average Mass436.447
Monoisotopic Mass436.16592
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)
InChIKeyBBRMAVGRWHNAIG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
parent of bms-986202 (CHEBI:758580) is a aromatic carboxylic acid (CHEBI:33859)
parent of bms-986202 (CHEBI:758580) is a pyridinemonocarboxylic acid (CHEBI:26420)