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CHEBI:108229 - 5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one

ChEBI IDCHEBI:108229
ChEBI Name5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one
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DownloadsMolfile
FormulaC31H26FN3O3S
Net Charge0
Average Mass539.632
Monoisotopic Mass539.16789
SMILESO=C1c2cccc(OCC(=O)N3N=C(c4cccs4)CC3c3ccc(F)cc3)c2CCN1Cc1ccccc1
InChIInChI=1S/C31H26FN3O3S/c32-23-13-11-22(12-14-23)27-18-26(29-10-5-17-39-29)33-35(27)30(36)20-38-28-9-4-8-25-24(28)15-16-34(31(25)37)19-21-6-2-1-3-7-21/h1-14,17,27H,15-16,18-20H2
InChIKeyXRTUFOSKWSYDIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one (CHEBI:108229) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-19606LINCS