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CHEBI:756948 - cfi-400945

Default Structure
ChEBI IDCHEBI:756948
ChEBI Namecfi-400945
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C33H34N4O3
Net Charge0
Average Mass650.732
Monoisotopic Mass650.27405
SMILESCOc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)nnc3c1)C(=O)N2.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C33H34N4O3.C4H4O4/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38;5-3(6)1-2-4(7)8/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36);1-2H,(H,5,6)(H,7,8)/b12-8+;2-1+/t20-,21+,28-,33-;/m0./s1
InChIKeyAQCDFVLWUWJREO-WQVJSASDSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cfi-400945 (CHEBI:756948) has role antineoplastic agent (CHEBI:35610)
cfi-400945 (CHEBI:756948) is a indazoles (CHEBI:38769)
Synonyms  Source
Cfi 400945ChEMBL
CFI-400945ChEMBL
CFI-400945 FUMARATEChEMBL
Ocifisertib fumarateChEMBL