CHEBI:103224 - [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

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ChEBI Name [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
ChEBI ID CHEBI:103224
Stars This entity has been manually annotated by a third party.
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Formula C32H40N4O4S
Net Charge 0
Average Mass 576.752
Monoisotopic Mass 576.27703
InChI InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m1/s1
InChIKey XPPDMEIYHITZLE-KWAZPYRMSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C
ChEBI Ontology
Outgoing [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:103224) is a biphenyls (CHEBI:22888)
Manual Xref Database
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