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CHEBI:79384 - BAR0329

ChEBI IDCHEBI:79384
ChEBI NameBAR0329
Stars
DefinitionA member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively.
Last Modified6 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H26ClN5O
Net Charge0
Average Mass423.948
Monoisotopic Mass423.18259
SMILESCOc1nc2ccc(CN3CCN(C(=N)N)CC3)cc2cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN5O/c1-30-22-19(12-16-2-5-20(24)6-3-16)14-18-13-17(4-7-21(18)27-22)15-28-8-10-29(11-9-28)23(25)26/h2-7,13-14H,8-12,15H2,1H3,(H3,25,26)
InChIKeyMPNSEMULLQLQCF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
BAR0329 (CHEBI:79384) has role antifungal agent (CHEBI:35718)
BAR0329 (CHEBI:79384) has role apoptosis inducer (CHEBI:68495)
BAR0329 (CHEBI:79384) is a aromatic ether (CHEBI:35618)
BAR0329 (CHEBI:79384) is a guanidines (CHEBI:24436)
BAR0329 (CHEBI:79384) is a monochlorobenzenes (CHEBI:83403)
BAR0329 (CHEBI:79384) is a piperazines (CHEBI:26144)
BAR0329 (CHEBI:79384) is a quinolines (CHEBI:26513)
IUPAC Name 
4-{[3-(4-chlorobenzyl)-2-methoxyquinolin-6-yl]methyl}piperazine-1-carboximidamide
Citations