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CHEBI:755672 - bay-1082439

Default Structure
ChEBI IDCHEBI:755672
ChEBI Namebay-1082439
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC25H30N6O5
Net Charge0
Average Mass494.552
Monoisotopic Mass494.22777
SMILESCOc1c(OC[C@H](O)CN2CCOCC2)ccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21
InChIInChI=1S/C25H30N6O5/c1-16-18(4-3-7-26-16)24(33)29-25-28-21-19(23-27-8-9-31(23)25)5-6-20(22(21)34-2)36-15-17(32)14-30-10-12-35-13-11-30/h3-7,17,32H,8-15H2,1-2H3,(H,28,29,33)/t17-/m1/s1
InChIKeyJGNRMIWLBBNSMU-QGZVFWFLSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bay-1082439 (CHEBI:755672) has role antineoplastic agent (CHEBI:35610)
bay-1082439 (CHEBI:755672) is a quinazolines (CHEBI:38530)
Synonyms  Source
Bay 1082439ChEMBL
Bay-1082439ChEMBL
BAY1082439ChEMBL