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CHEBI:746963 - BI-3406

ChEBI IDCHEBI:746963
ChEBI NameBI-3406
Stars
Last Modified24 November 2025
SubmitterAdnan
DownloadsMolfile
FormulaC23H25F3N4O3
Net Charge0
Average Mass462.472
Monoisotopic Mass462.18788
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1O[C@H]1CCOC1
InChIInChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1
InChIKeyXVFDNRYZXDHTHT-PXAZEXFGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BI-3406 (CHEBI:746963) has role antineoplastic agent (CHEBI:35610)
BI-3406 (CHEBI:746963) is a (trifluoromethyl)benzenes (CHEBI:83565)
BI-3406 (CHEBI:746963) is a oxolanes (CHEBI:26912)
BI-3406 (CHEBI:746963) is a quinazolines (CHEBI:38530)
BI-3406 (CHEBI:746963) is a secondary amino compound (CHEBI:50995)
BI-3406 (CHEBI:746963) is a substituted aniline (CHEBI:48975)
IUPAC Name 
N-{(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl}-7-methoxy-2-methyl-6-{[(3S)-oxolan-3-yl]oxy}quinazolin-4-amine
Synonyms  Source
BI3406ChEBI
BI 3406ChEBI
Registry NumbersSources
CAS:2230836-55-0ChEBI
Citations