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CHEBI:755975 - ce-245677

Default Structure
ChEBI IDCHEBI:755975
ChEBI Namece-245677
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC24H22Cl2N6O3
Net Charge0
Average Mass513.385
Monoisotopic Mass512.11304
SMILESCOc1ccc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc1NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34)
InChIKeyVFCRSIORGUNNGT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ce-245677 (CHEBI:755975) is a aromatic ketone (CHEBI:76224)
Synonyms  Source
Ce 245677ChEMBL
Ce-245677ChEMBL
Citations