(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97847)

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CHEBI:97847 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:97847
ChEBI Name	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-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(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-13-16-37-14-4-5-15-37)36-31(30(27)29(38)12-17-39)26-11-7-10-25(19-26)24-9-6-8-23(18-24)21-34/h6-11,18-20,29,39H,4-5,12-17,22H2,1-3H3,(H,35,40)/t29-,42-/m0/s1
InChIKey	RNFNRXMTASYMQO-WHAQVLKXSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97847) is a biphenyls (CHEBI:22888)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97847) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-9226	LINCS