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CHEBI:98198 - 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

ChEBI IDCHEBI:98198
ChEBI Name3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC32H36N4O3S
Net Charge0
Average Mass556.732
Monoisotopic Mass556.25081
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO
InChIInChI=1S/C32H36N4O3S/c1-32(2,3)40(39)36-21-26-19-27(31(38)35-14-5-4-6-15-35)34-30(29(26)28(36)13-16-37)25-12-8-11-24(18-25)23-10-7-9-22(17-23)20-33/h7-12,17-19,28,37H,4-6,13-16,21H2,1-3H3/t28-,40-/m1/s1
InChIKeyQJZRVXNBJYVZFW-VAJZRNNVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98198) is a biphenyls (CHEBI:22888)
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98198) is a nitrile (CHEBI:18379)
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