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CHEBI:127440 - [(3aS,4S,9bS)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:127440
ChEBI Name[(3aS,4S,9bS)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC27H25FN2O3S
Net Charge0
Average Mass476.573
Monoisotopic Mass476.15699
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C#Cc4ccc(F)cc4)ccc2N[C@@H]3CO)cc1
InChIInChI=1S/C27H25FN2O3S/c1-18-2-11-22(12-3-18)34(32,33)30-15-14-23-26(17-31)29-25-13-8-20(16-24(25)27(23)30)5-4-19-6-9-21(28)10-7-19/h2-3,6-13,16,23,26-27,29,31H,14-15,17H2,1H3/t23-,26+,27-/m0/s1
InChIKeyZFXNPHKQAQZOJC-RNJDCESWSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-8-[2-(4-fluorophenyl)ethynyl]-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:127440) is a pyrroloquinoline (CHEBI:50918)
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