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CHEBI:102314 - 4-[3-[(3R)-2-[(R)-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:102314
ChEBI Name4-[3-[(3R)-2-[(R)-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(-c5ccc(C(=O)N(C)C)cc5)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)38-17-15-37(6)16-18-38)35-31(30(27)29(39)14-19-40)26-9-7-8-25(20-26)23-10-12-24(13-11-23)32(41)36(4)5/h7-13,20-21,29,40H,14-19,22H2,1-6H3/t29-,44-/m1/s1
InChIKeyIQZRUSWQLPQALK-FUGCVYLMSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-[(3R)-2-[(R)-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:102314) is a biphenyls (CHEBI:22888)
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