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CHEBI:760453 - bn-104

Default Structure
ChEBI IDCHEBI:760453
ChEBI Namebn-104
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H35FN8O2
Net Charge0
Average Mass570.673
Monoisotopic Mass570.28670
SMILES[H][C@@]12CCC[C@]1([H])[C@@H](C(=O)N1CCC3(CC1)CN(c1ncnnc1Oc1ccc(F)cc1-c1cncnc1C1CC1)C3)NC2
InChIInChI=1S/C31H35FN8O2/c32-21-6-7-25(23(12-21)24-14-33-17-35-26(24)19-4-5-19)42-29-28(36-18-37-38-29)40-15-31(16-40)8-10-39(11-9-31)30(41)27-22-3-1-2-20(22)13-34-27/h6-7,12,14,17-20,22,27,34H,1-5,8-11,13,15-16H2/t20-,22-,27-/m0/s1
InChIKeyXDXAYPYOHXUEAM-CLHVYKLBSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bn-104 (CHEBI:760453) has role antineoplastic agent (CHEBI:35610)
bn-104 (CHEBI:760453) is a amino acid amide (CHEBI:22475)
Synonyms  Source
Bn-104ChEMBL
Bn104ChEMBL