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CHEBI:124956 - [(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone

ChEBI IDCHEBI:124956
ChEBI Name[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
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DownloadsMolfile
FormulaC28H25FN2O3
Net Charge0
Average Mass456.517
Monoisotopic Mass456.18492
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1
InChIInChI=1S/C28H25FN2O3/c1-34-22-10-7-18(8-11-22)5-6-19-9-12-25-24(15-19)27-23(26(17-32)30-25)13-14-31(27)28(33)20-3-2-4-21(29)16-20/h2-4,7-12,15-16,23,26-27,30,32H,13-14,17H2,1H3/t23-,26+,27-/m0/s1
InChIKeyGERSETOIRBFUAZ-RNJDCESWSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone (CHEBI:124956) is a pyrroloquinoline (CHEBI:50918)
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