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CHEBI:124953 - [(3aS,4S,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone

ChEBI IDCHEBI:124953
ChEBI Name[(3aS,4S,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone
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DownloadsMolfile
FormulaC26H23FN4O2
Net Charge0
Average Mass442.494
Monoisotopic Mass442.18050
SMILESCN1c2ccc(C#Cc3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H]1CO
InChIInChI=1S/C26H23FN4O2/c1-30-23-9-7-17(6-8-18-4-2-3-5-21(18)27)14-20(23)25-19(24(30)16-32)10-13-31(25)26(33)22-15-28-11-12-29-22/h2-5,7,9,11-12,14-15,19,24-25,32H,10,13,16H2,1H3/t19-,24-,25-/m1/s1
InChIKeyIUBKNPOLICXKOZ-UKDVSSAZSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4S,9bR)-8-[2-(2-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone (CHEBI:124953) is a pyrroloquinoline (CHEBI:50918)
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