CHEBI:128581 - 1-[(3aS,4S,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(3-pyridinyl)ethanone

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ChEBI Name 1-[(3aS,4S,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(3-pyridinyl)ethanone
ChEBI ID CHEBI:128581
Stars This entity has been manually annotated by a third party.
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Formula C26H26FN3O2
Net Charge 0
Average Mass 431.503
Monoisotopic Mass 431.20091
InChI InChI=1S/C26H26FN3O2/c1-29-23-8-7-19(18-5-2-6-20(27)13-18)14-22(23)26-21(24(29)16-31)9-11-30(26)25(32)12-17-4-3-10-28-15-17/h2-8,10,13-15,21,24,26,31H,9,11-12,16H2,1H3/t21-,24-,26-/m1/s1
InChIKey GPKOVPMMPCOHRN-YMVVMYQSSA-N
SMILES CN1[C@@H]([C@H]2CCN([C@H]2C3=C1C=CC(=C3)C4=CC(=CC=C4)F)C(=O)CC5=CN=CC=C5)CO
ChEBI Ontology
Outgoing 1-[(3aS,4S,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(3-pyridinyl)ethanone (CHEBI:128581) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-40135 LINCS
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