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CHEBI:233294 - NLRP3-IN-33

ChEBI IDCHEBI:233294
ChEBI NameNLRP3-IN-33
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC21H19N3O5
Net Charge0
Average Mass393.399
Monoisotopic Mass393.13247
SMILES[H]C(/C(O)=N/C/C(O)=N/c1ccc(O)c2ncccc12)=C(/[H])c1ccc(O)c(OC)c1
InChIInChI=1S/C21H19N3O5/c1-29-18-11-13(4-7-16(18)25)5-9-19(27)23-12-20(28)24-15-6-8-17(26)21-14(15)3-2-10-22-21/h2-11,25-26H,12H2,1H3,(H,23,27)(H,24,28)/b9-5+
InChIKeyBLPGZFNUWGOUOF-WEVVVXLNSA-N
Roles Classification
Biological Role:
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
ChEBI Ontology
Outgoing Relation(s)
NLRP3-IN-33 (CHEBI:233294) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
NLRP3-IN-33 (CHEBI:233294) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[(8-hydroxyquinolin-5-yl)amino]-2-oxoethyl]prop-2-enamide
Citations