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CHEBI:129683 - 3-[(3aR,4S,9bR)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:129683
ChEBI Name3-[(3aR,4S,9bR)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC25H22FN3O3S
Net Charge0
Average Mass463.534
Monoisotopic Mass463.13659
SMILESN#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2ccc(F)cc2)[C@@H](CO)N3)c1
InChIInChI=1S/C25H22FN3O3S/c26-19-5-7-20(8-6-19)33(31,32)29-11-10-21-24(15-30)28-23-9-4-18(13-22(23)25(21)29)17-3-1-2-16(12-17)14-27/h1-9,12-13,21,24-25,28,30H,10-11,15H2/t21-,24-,25-/m1/s1
InChIKeyWTDKFZXRKKYFSG-NQHRYMMQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aR,4S,9bR)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:129683) is a quinolines (CHEBI:26513)
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