(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101342)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101342 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:101342
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
Downloads	Molfile

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(-c4cccc(C#N)c4)c3)c2[C@H]1CCO
InChI	InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-16-12-23-10-14-36-15-11-23)38-32(31(28)30(39)13-17-40)27-9-5-8-26(19-27)25-7-4-6-24(18-25)21-35/h4-11,14-15,18-20,30,40H,12-13,16-17,22H2,1-3H3,(H,37,41)/t30-,43-/m1/s1
InChIKey	VJIZUSRNHDZCJF-QHKNHCAJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101342) is a biphenyls (CHEBI:22888)
	(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101342) is a nitrile (CHEBI:18379)

Manual Xrefs	Databases
LSM-12707	LINCS