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CHEBI:759113 - jts-653

Default Structure
ChEBI IDCHEBI:759113
ChEBI Namejts-653
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H21F3N4O4
Net Charge0
Average Mass474.439
Monoisotopic Mass474.15149
SMILESCc1ccc(N2c3cccc(C(=O)Nc4ccc(OCC(F)(F)F)nc4)c3OC[C@@H]2CO)nc1
InChIInChI=1S/C23H21F3N4O4/c1-14-5-7-19(27-9-14)30-16(11-31)12-33-21-17(3-2-4-18(21)30)22(32)29-15-6-8-20(28-10-15)34-13-23(24,25)26/h2-10,16,31H,11-13H2,1H3,(H,29,32)/t16-/m0/s1
InChIKeyQZUCKCLSVBFSOS-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
jts-653 (CHEBI:759113) is a benzoxazine (CHEBI:46969)
Synonyms  Source
Jts-653ChEMBL
JTS653ChEMBL
Citations