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CHEBI:112693 - 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide

ChEBI IDCHEBI:112693
ChEBI Name2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide
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FormulaC28H27N5O4
Net Charge0
Average Mass497.555
Monoisotopic Mass497.20630
SMILESCOc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
InChIInChI=1S/C28H27N5O4/c1-37-24-11-5-4-10-23(24)33-19-22(20-8-2-3-9-21(20)28(33)36)27(35)30-18-26(34)32-16-14-31(15-17-32)25-12-6-7-13-29-25/h2-13,19H,14-18H2,1H3,(H,30,35)
InChIKeyMDYNVKNLFNKQJO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide (CHEBI:112693) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
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