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CHEBI:125706 - [(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:125706
ChEBI Name[(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
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DownloadsMolfile
FormulaC23H25FN4O3S
Net Charge0
Average Mass456.543
Monoisotopic Mass456.16314
SMILESCC1C=NC(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)N(C)c4ccc(-c5ccccc5F)cc4[C@@H]32)=N1
InChIInChI=1S/C23H25FN4O3S/c1-14-12-25-23(26-14)32(30,31)28-10-9-17-21(13-29)27(2)20-8-7-15(11-18(20)22(17)28)16-5-3-4-6-19(16)24/h3-8,11-12,14,17,21-22,29H,9-10,13H2,1-2H3/t14?,17-,21-,22-/m1/s1
InChIKeyXWWQXQSAOXPZDK-RPNVBXTISA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bR)-8-(2-fluorophenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:125706) is a quinolines (CHEBI:26513)
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