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CHEBI:122164 - 4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester

ChEBI IDCHEBI:122164
ChEBI Name4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC24H27N5OS2
Net Charge0
Average Mass465.648
Monoisotopic Mass465.16570
SMILESCC1=Nc2ccccc2N=C(NC(=O)CSC(=S)N2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C24H27N5OS2/c1-17-22(18-8-4-3-5-9-18)23(26-20-11-7-6-10-19(20)25-17)27-21(30)16-32-24(31)29-14-12-28(2)13-15-29/h3-11,22H,12-16H2,1-2H3,(H,26,27,30)
InChIKeyVBGKZBXJQMLQMT-UHFFFAOYSA-N
Roles Classification
Biological Role:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Application:
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester (CHEBI:122164) is a benzodiazepine (CHEBI:22720)
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