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CHEBI:101109 - 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:101109
ChEBI Name3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC34H43N5O4S
Net Charge0
Average Mass617.816
Monoisotopic Mass617.30358
SMILESCN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cccc(C(=O)N(C)C)c5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1
InChIInChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m0/s1
InChIKeyJAGKHPQTGSVHMY-RGLUPAHUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:101109) is a biphenyls (CHEBI:22888)
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