[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone (CHEBI:97146)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97146 - [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone

Take structure to advanced search

ChEBI ID	CHEBI:97146
ChEBI Name	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
Stars
Downloads	Molfile

Formula	C30H34FN3O4S
Net Charge	0
Average Mass	551.684
Monoisotopic Mass	551.22541
SMILES	CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCOCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO
InChI	InChI=1S/C30H34FN3O4S/c1-30(2,3)39(37)34-19-22-18-25(29(36)33-12-15-38-16-13-33)32-28(27(22)26(34)11-14-35)21-8-6-7-20(17-21)23-9-4-5-10-24(23)31/h4-10,17-18,26,35H,11-16,19H2,1-3H3/t26-,39-/m0/s1
InChIKey	WDBGCMALGZQRLR-BNCXPCJNSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone (CHEBI:97146) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-8525	LINCS