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CHEBI:101331 - [(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

ChEBI IDCHEBI:101331
ChEBI Name[(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
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DownloadsMolfile
FormulaC33H44N4O3S
Net Charge0
Average Mass576.807
Monoisotopic Mass576.31341
SMILESCN1CCN(C(=O)c2cc3c(c(-c4cccc(C#CCC5CCCC5)c4)n2)[C@H](CCO)N(S(=O)C(C)(C)C)C3)CC1
InChIInChI=1S/C33H44N4O3S/c1-33(2,3)41(40)37-23-27-22-28(32(39)36-18-16-35(4)17-19-36)34-31(30(27)29(37)15-20-38)26-14-8-13-25(21-26)12-7-11-24-9-5-6-10-24/h8,13-14,21-22,24,29,38H,5-6,9-11,15-20,23H2,1-4H3/t29-,41?/m0/s1
InChIKeyLIWWQJPEXSZFEM-XLSVDPLXSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:101331) is a phenylpyridine (CHEBI:38193)
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