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CHEBI:82662 - DH334

ChEBI IDCHEBI:82662
ChEBI NameDH334
Stars
DefinitionAn organic bromide salt having 9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-β-carbolin-2-ium as the counterion
Last Modified8 August 2014
SubmitterSteve
DownloadsMolfile
FormulaBr.C28H26ClN2
Net Charge0
Average Mass505.887
Monoisotopic Mass504.09679
SMILESCCCC[n+]1ccc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl.[Br-]
InChIInChI=1S/C28H26ClN2.BrH/c1-2-3-18-30-19-17-23-22-13-8-10-16-26(22)31(20-21-11-5-4-6-12-21)28(23)27(30)24-14-7-9-15-25(24)29;/h4-17,19H,2-3,18,20H2,1H3;1H/q+1;/p-1
InChIKeyMABQGZCUZBRXEX-UHFFFAOYSA-M
Roles Classification
Biological Role:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
DH334 (CHEBI:82662) has part DH334(1+) (CHEBI:82666)
DH334 (CHEBI:82662) has role antineoplastic agent (CHEBI:35610)
DH334 (CHEBI:82662) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
DH334 (CHEBI:82662) is a organic bromide salt (CHEBI:48369)
IUPAC Name 
9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-β-carbolin-2-ium bromide
Synonyms  Source
DH 334ChEBI
DH-334ChEBI
Citations