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CHEBI:758445 - bms-986202

Default Structure
ChEBI IDCHEBI:758445
ChEBI Namebms-986202
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC22H18D3FN6O3
Net Charge0
Average Mass439.465
Monoisotopic Mass439.18475
SMILES[2H]C([2H])([2H])NC(=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)/i1D3
InChIKeyBBRMAVGRWHNAIG-FIBGUPNXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
bms-986202 (CHEBI:758445) has role antipsoriatic (CHEBI:50748)
bms-986202 (CHEBI:758445) is a aromatic carboxylic acid (CHEBI:33859)
bms-986202 (CHEBI:758445) is a pyridinemonocarboxylic acid (CHEBI:26420)
Synonyms  Source
Bms-986202ChEMBL
BMS986202ChEMBL
Citations