CHEBI:125193 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione

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ChEBI Name (3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione
ChEBI ID CHEBI:125193
Stars This entity has been manually annotated by a third party.
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Formula C34H29F3N2O4
Net Charge 0
Average Mass 586.602
Monoisotopic Mass 586.20794
InChI InChI=1S/C34H29F3N2O4/c1-43-29-13-7-3-9-25(29)19-38-30(23-16-14-22(20-40)15-17-23)33(27-11-5-4-10-26(27)31(38)41)18-24-8-2-6-12-28(24)39(32(33)42)21-34(35,36)37/h2-17,30,40H,18-21H2,1H3/t30-,33-/m0/s1
InChIKey GXXRYUSAEABPFY-DITALETJSA-N
SMILES COC1=CC=CC=C1CN2[C@H]([C@]3(CC4=CC=CC=C4N(C3=O)CC(F)(F)F)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)CO
ChEBI Ontology
Outgoing (3S,4S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methoxyphenyl)methyl]-1'-(2,2,2-trifluoroethyl)spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione (CHEBI:125193) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-36660 LINCS
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