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CHEBI:79384 - BAR0329

Default Structure
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:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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