CHEBI:102298 - [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-methyl-1-piperazinyl)methanone ChEBI ID CHEBI:102298 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H37FN4O3S Net Charge 0 Average Mass 564.716 Monoisotopic Mass 564.25704 InChI InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m0/s1 InChIKey SXBHHBYKOFATQA-PDBZVODSSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)C ChEBI Ontology Outgoing [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:102298) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-13651 LINCS View more database links