(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99273)

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CHEBI:99273 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:99273
ChEBI Name	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C35H36N4O4S
Net Charge	0
Average Mass	608.764
Monoisotopic Mass	608.24573
SMILES	COc1ccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)cc1
InChI	InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-10-14-29(43-4)15-11-24)38-33(32(28)31(39)16-17-40)27-7-5-6-26(18-27)25-12-8-23(20-36)9-13-25/h5-15,18-19,31,40H,16-17,21-22H2,1-4H3,(H,37,41)/t31-,44-/m0/s1
InChIKey	JYXARMWTMOZTGK-JCFUSDQVSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99273) is a biphenyls (CHEBI:22888)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99273) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-10652	LINCS