(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98102)

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CHEBI:98102 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:98102
ChEBI Name	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Formula	C34H35N5O3S
Net Charge	0
Average Mass	593.753
Monoisotopic Mass	593.24606
SMILES	CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-17-13-23-11-15-36-16-12-23)38-32(31(28)30(39)14-18-40)27-6-4-5-26(19-27)25-9-7-24(21-35)8-10-25/h4-12,15-16,19-20,30,40H,13-14,17-18,22H2,1-3H3,(H,37,41)/t30-,43-/m0/s1
InChIKey	SEESJXJXYIRQQP-IPKWWJLYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98102) is a biphenyls (CHEBI:22888)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98102) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-9481	LINCS