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CHEBI:756852 - biib-028

Default Structure
ChEBI IDCHEBI:756852
ChEBI Namebiib-028
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC19H21ClN5O5P
Net Charge0
Average Mass465.834
Monoisotopic Mass465.09688
SMILESCOc1c(C)cnc(Cn2cc(C#CCCOP(=O)(O)O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C19H21ClN5O5P/c1-11-8-22-14(12(2)16(11)29-3)10-25-9-13(6-4-5-7-30-31(26,27)28)15-17(20)23-19(21)24-18(15)25/h8-9H,5,7,10H2,1-3H3,(H2,21,23,24)(H2,26,27,28)
InChIKeyBMZGPNGECPQAGB-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
biib-028 (CHEBI:756852) has role antineoplastic agent (CHEBI:35610)
biib-028 (CHEBI:756852) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
Biib-028ChEMBL
BIIB028ChEMBL