4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:99309)

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CHEBI:99309 - 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

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ChEBI ID	CHEBI:99309
ChEBI Name	4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
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Formula	C31H34N4O4S
Net Charge	0
Average Mass	558.704
Monoisotopic Mass	558.23008
SMILES	CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO
InChI	InChI=1S/C31H34N4O4S/c1-31(2,3)40(38)35-20-25-18-26(30(37)34-12-15-39-16-13-34)33-29(28(25)27(35)11-14-36)24-6-4-5-23(17-24)22-9-7-21(19-32)8-10-22/h4-10,17-18,27,36H,11-16,20H2,1-3H3/t27-,40-/m1/s1
InChIKey	IMNSYTYGXZBRLR-KSTXALNGSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:99309) is a biphenyls (CHEBI:22888)
	4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:99309) is a nitrile (CHEBI:18379)

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