[(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:98733)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98733 - [(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

Take structure to advanced search

ChEBI ID	CHEBI:98733
ChEBI Name	[(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
Stars
Downloads	Molfile

Formula	C31H37FN4O3S
Net Charge	0
Average Mass	564.727
Monoisotopic Mass	564.25704
SMILES	CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(F)c5)c4)n2)[C@@H](CCO)N(S(=O)C(C)(C)C)C3)CC1
InChI	InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-24-19-26(30(38)35-14-12-34(4)13-15-35)33-29(28(24)27(36)11-16-37)23-9-5-7-21(17-23)22-8-6-10-25(32)18-22/h5-10,17-19,27,37H,11-16,20H2,1-4H3/t27-,40?/m1/s1
InChIKey	BKCTXULBENSKFX-SBQKCOLHSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:98733) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-10112	LINCS