CHEBI:100863 - [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

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ChEBI Name [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone ChEBI ID CHEBI:100863 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 C30H40N4O3S Net Charge 0 Average Mass 536.731 Monoisotopic Mass 536.28211 InChI InChI=1S/C30H40N4O3S/c1-30(2,3)38(37)34-20-24-19-25(29(36)33-15-13-32(4)14-16-33)31-28(27(24)26(34)12-17-35)23-11-7-10-22(18-23)21-8-5-6-9-21/h7-8,10-11,18-19,26,35H,5-6,9,12-17,20H2,1-4H3/t26-,38-/m0/s1 InChIKey VSPYGNDYHLSTDT-WTMVGVENSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N5CCN(CC5)C ChEBI Ontology Outgoing [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:100863) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-12237 LINCS View more database links