CHEBI:102763 - [(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
ChEBI ID CHEBI:102763
Stars This entity has been manually annotated by a third party.
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Formula C31H36FN3O3S
Net Charge 0
Average Mass 549.701
Monoisotopic Mass 549.24614
InChI InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-24-19-26(30(37)34-15-5-4-6-16-34)33-29(28(24)27(35)14-17-36)23-9-7-8-22(18-23)21-10-12-25(32)13-11-21/h7-13,18-19,27,36H,4-6,14-17,20H2,1-3H3/t27-,39-/m1/s1
InChIKey OMSQUWKQKRPVCL-GAZSAWIUSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N5CCCCC5
ChEBI Ontology
Outgoing [(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone (CHEBI:102763) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-14109 LINCS
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