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CHEBI:98272 - 4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

ChEBI IDCHEBI:98272
ChEBI Name4-[3-[(3S)-2-[(S)-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(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO
InChIInChI=1S/C32H36N4O3S/c1-32(2,3)40(39)36-21-26-19-27(31(38)35-15-5-4-6-16-35)34-30(29(26)28(36)14-17-37)25-9-7-8-24(18-25)23-12-10-22(20-33)11-13-23/h7-13,18-19,28,37H,4-6,14-17,21H2,1-3H3/t28-,40-/m0/s1
InChIKeyXBUYKONZLQYBJN-KJKFISAKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98272) is a biphenyls (CHEBI:22888)
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98272) is a nitrile (CHEBI:18379)
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