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CHEBI:757916 - asp-5878

Default Structure
ChEBI IDCHEBI:757916
ChEBI Nameasp-5878
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H19F2N5O4
Net Charge0
Average Mass407.377
Monoisotopic Mass407.14051
SMILESCOc1cc(OC)c(F)c(COc2cnc(Nc3cnn(CCO)c3)nc2)c1F
InChIInChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)
InChIKeyVDZZYOJYLLNBTD-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
asp-5878 (CHEBI:757916) has role antineoplastic agent (CHEBI:35610)
asp-5878 (CHEBI:757916) is a dimethoxybenzene (CHEBI:51681)
Synonyms  Source
Asp 5878ChEMBL
ASP-5878ChEMBL
ASP5878ChEMBL
Citations