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CHEBI:755332 - biib-095

Default Structure
ChEBI IDCHEBI:755332
ChEBI Namebiib-095
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H21F3N4O
Net Charge0
Average Mass390.409
Monoisotopic Mass390.16675
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc([C@H]2CC[C@@]3(CCN(C)C3=O)N2)n1
InChIInChI=1S/C20H21F3N4O/c1-12-11-16(13-3-5-14(6-4-13)20(21,22)23)25-17(24-12)15-7-8-19(26-15)9-10-27(2)18(19)28/h3-6,11,15,26H,7-10H2,1-2H3/t15-,19+/m1/s1
InChIKeyGCZUIPVRHLYYOG-BEFAXECRSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
biib-095 (CHEBI:755332) is a α-amino acid (CHEBI:33704)
Synonyms  Source
Biib-095ChEMBL
Biib095ChEMBL
Citations