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CHEBI:82666 - DH334(1+)

ChEBI IDCHEBI:82666
ChEBI NameDH334(1+)
Stars
DefinitionAn organic cation that is DH334 lacking the bromide couterion.
Last Modified8 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC28H26ClN2
Net Charge+1
Average Mass425.983
Monoisotopic Mass425.17790
SMILESCCCC[n+]1ccc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl
InChIInChI=1S/C28H26ClN2/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/q+1
InChIKeyOSCGJDFYBBWCSW-UHFFFAOYSA-N
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(1+) (CHEBI:82666) has role antineoplastic agent (CHEBI:35610)
DH334(1+) (CHEBI:82666) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
DH334(1+) (CHEBI:82666) is a organic cation (CHEBI:25697)
Incoming Relation(s)
DH334 (CHEBI:82662) has part DH334(1+) (CHEBI:82666)
IUPAC Name 
9-benzyl-2-butyl-1-(2-chlorophenyl)-9H-β-carbolin-2-ium
Synonym  Source
DH334 cationChEBI