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CHEBI:100149 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:100149
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC33H36N4O4S
Net Charge0
Average Mass584.742
Monoisotopic Mass584.24573
SMILESCOc1ccccc1-c1cccc(-c2nc(C(=O)NCc3ccncc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1
InChIInChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-25-19-27(32(39)35-20-22-12-15-34-16-13-22)36-31(30(25)28(37)14-17-38)24-9-7-8-23(18-24)26-10-5-6-11-29(26)41-4/h5-13,15-16,18-19,28,38H,14,17,20-21H2,1-4H3,(H,35,39)/t28-,42-/m0/s1
InChIKeyVTKOTAQLGFRVGB-PJVIOAIDSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100149) is a biphenyls (CHEBI:22888)
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