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CHEBI:149969 - (5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

ChEBI IDCHEBI:149969
ChEBI Name(5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Stars
DownloadsMolfile
FormulaC17H15ClN2O3
Net Charge0
Average Mass330.771
Monoisotopic Mass330.07712
SMILESCC(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1cncc(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c1-11(21)20-10-13-5-3-2-4-12(13)6-16(20)17(22)23-15-7-14(18)8-19-9-15/h2-5,7-9,16H,6,10H2,1H3/t16-/m0/s1
InChIKeyDHEPUAXVQWBJND-INIZCTEOSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
(5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (CHEBI:149969) has role anticoronaviral agent (CHEBI:149553)
(5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (CHEBI:149969) is a α-amino acid ester (CHEBI:46874)