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CHEBI:94967 - 6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

ChEBI IDCHEBI:94967
ChEBI Name6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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DownloadsMolfile
FormulaC29H31N3O
Net Charge0
Average Mass437.587
Monoisotopic Mass437.24671
SMILESCCN(CC)c1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2)C3)cc1
InChIInChI=1S/C29H31N3O/c1-3-32(4-2)23-16-14-21(15-17-23)29-28-26(30-24-12-8-9-13-25(24)31-29)18-22(19-27(28)33)20-10-6-5-7-11-20/h5-17,22,29-31H,3-4,18-19H2,1-2H3
InChIKeyAGQNVTZMIXEHKC-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)
6-[4-(diethylamino)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one (CHEBI:94967) is a benzodiazepine (CHEBI:22720)
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