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CHEBI:129117 - [(3aS,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone

ChEBI IDCHEBI:129117
ChEBI Name[(3aS,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone
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FormulaC25H25FN2O2
Net Charge0
Average Mass404.485
Monoisotopic Mass404.19001
SMILESO=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@@H]2CO
InChIInChI=1S/C25H25FN2O2/c26-19-6-1-3-16(13-19)7-8-17-9-10-22-21(14-17)24-20(23(15-29)27-22)11-12-28(24)25(30)18-4-2-5-18/h1,3,6,9-10,13-14,18,20,23-24,27,29H,2,4-5,11-12,15H2/t20-,23+,24-/m0/s1
InChIKeyKGLZMHKBWIWKBY-ZTCOLXNVSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone (CHEBI:129117) is a pyrroloquinoline (CHEBI:50918)
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