CHEBI:79384 - BAR0329

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ChEBI Name BAR0329
ChEBI ID CHEBI:79384
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H26ClN5O
Net Charge 0
Average Mass 423.93800
Monoisotopic Mass 423.18259
InChI InChI=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)
InChIKey MPNSEMULLQLQCF-UHFFFAOYSA-N
SMILES COc1nc2ccc(CN3CCN(CC3)C(N)=N)cc2cc1Cc1ccc(Cl)cc1
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
20726898 PubMed citation Europe PMC
Last Modified
06 July 2015