CHEBI:127487 - [(3aS,4R,9bS)-1-(3-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:127487
ChEBI Name[(3aS,4R,9bS)-1-(3-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
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FormulaC25H25FN2O4S
Net Charge0
Average Mass468.550
Monoisotopic Mass468.15191
SMILESCOc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@H](CO)N2
InChIInChI=1S/C25H25FN2O4S/c1-32-24-8-3-2-7-19(24)16-9-10-22-21(13-16)25-20(23(15-29)27-22)11-12-28(25)33(30,31)18-6-4-5-17(26)14-18/h2-10,13-14,20,23,25,27,29H,11-12,15H2,1H3/t20-,23-,25-/m0/s1
InChIKeyVCVPLNABYDCRRJ-OPHFCASCSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4R,9bS)-1-(3-fluorophenyl)sulfonyl-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:127487) is a quinolines (CHEBI:26513)
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LSM-39045LINCS