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CHEBI:129479 - [(3aR,4R,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:129479
ChEBI Name[(3aR,4R,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone
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DownloadsMolfile
FormulaC27H22F2N2O2
Net Charge0
Average Mass444.481
Monoisotopic Mass444.16493
SMILESO=C(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21
InChIInChI=1S/C27H22F2N2O2/c28-20-10-8-19(9-11-20)27(33)31-14-13-21-25(16-32)30-24-12-6-17(15-22(24)26(21)31)5-7-18-3-1-2-4-23(18)29/h1-4,6,8-12,15,21,25-26,30,32H,13-14,16H2/t21-,25+,26-/m1/s1
InChIKeyUGTAUZFIGPKEPI-QGUKFAFCSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4R,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone (CHEBI:129479) is a pyrroloquinoline (CHEBI:50918)
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