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CHEBI:128557 - [(3aR,4S,9bR)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone

ChEBI IDCHEBI:128557
ChEBI Name[(3aR,4S,9bR)-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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DownloadsMolfile
FormulaC25H25FN2O2
Net Charge0
Average Mass404.485
Monoisotopic Mass404.19001
SMILESO=C(C1CCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21
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-/m1/s1
InChIKeyKGLZMHKBWIWKBY-AGILITTLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bR)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone (CHEBI:128557) is a pyrroloquinoline (CHEBI:50918)
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