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CHEBI:125249 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-4-[(2-iodophenyl)methyl]-1-oxo-N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-isoquinoline-4-carboxamide

ChEBI IDCHEBI:125249
ChEBI Name(3S,4S)-3-[4-(hydroxymethyl)phenyl]-4-[(2-iodophenyl)methyl]-1-oxo-N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-isoquinoline-4-carboxamide
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DownloadsMolfile
FormulaC34H27F6IN2O3
Net Charge0
Average Mass752.493
Monoisotopic Mass752.09706
SMILESO=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCC(F)(F)F)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C34H27F6IN2O3/c35-33(36,37)20-42-31(46)32(17-23-7-2-6-12-28(23)41)27-11-5-3-9-25(27)30(45)43(29(32)22-15-13-21(19-44)14-16-22)18-24-8-1-4-10-26(24)34(38,39)40/h1-16,29,44H,17-20H2,(H,42,46)/t29-,32-/m0/s1
InChIKeyQHNWPNZROGJYNJ-NYDCQLBNSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-3-[4-(hydroxymethyl)phenyl]-4-[(2-iodophenyl)methyl]-1-oxo-N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-3H-isoquinoline-4-carboxamide (CHEBI:125249) is a isoquinolines (CHEBI:24922)
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