3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:97187)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97187 - 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide

Take structure to advanced search

ChEBI ID	CHEBI:97187
ChEBI Name	3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
Stars
Downloads	Molfile

Formula	C34H42N4O4S
Net Charge	0
Average Mass	602.801
Monoisotopic Mass	602.29268
SMILES	CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)N4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1
InChI	InChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-22-27-21-28(33(41)37-16-7-6-8-17-37)35-31(30(27)29(38)15-18-39)25-13-9-11-23(19-25)24-12-10-14-26(20-24)32(40)36(4)5/h9-14,19-21,29,39H,6-8,15-18,22H2,1-5H3/t29-,43-/m1/s1
InChIKey	KPHKCBNGEDAQEL-WXTZLZKPSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:97187) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-8566	LINCS