(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100378)

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CHEBI:100378 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:100378
ChEBI Name	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Formula	C33H39N5O3S
Net Charge	0
Average Mass	585.774
Monoisotopic Mass	585.27736
SMILES	CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m0/s1
InChIKey	KRBOYVJOHNAAFC-WHAQVLKXSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100378) is a biphenyls (CHEBI:22888)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100378) is a nitrile (CHEBI:18379)

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