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

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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
ChEBI ID CHEBI:125249
Stars This entity has been manually annotated by a third party.
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Formula C34H27F6IN2O3
Net Charge 0
Average Mass 752.486
Monoisotopic Mass 752.09706
InChI InChI=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
InChIKey QHNWPNZROGJYNJ-NYDCQLBNSA-N
SMILES C1=CC=C(C(=C1)C[C@]2([C@@H](N(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)CO)C(=O)NCC(F)(F)F)I
ChEBI Ontology
Outgoing (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)
Manual Xref Database
LSM-36719 LINCS
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