(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98037)

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CHEBI:98037 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:98037
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Formula	C35H36N4O4S
Net Charge	0
Average Mass	608.764
Monoisotopic Mass	608.24573
SMILES	COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1
InChI	InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-7-5-10-29(17-24)43-4)38-33(32(28)31(39)15-16-40)27-9-6-8-26(18-27)25-13-11-23(20-36)12-14-25/h5-14,17-19,31,40H,15-16,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1
InChIKey	PAVPSZKVOXNNCU-VRESAINUSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98037) is a biphenyls (CHEBI:22888)
	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98037) is a nitrile (CHEBI:18379)

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