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CHEBI:129060 - (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:129060
ChEBI Name(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC33H38N4O5S
Net Charge0
Average Mass602.757
Monoisotopic Mass602.25629
SMILESCN(C)CC#Cc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)cc3c2[C@H](CCO)N(S(=O)C(C)(C)C)C3)c1
InChIInChI=1S/C33H38N4O5S/c1-33(2,3)43(40)37-20-25-18-26(32(39)34-19-23-11-12-28-29(17-23)42-21-41-28)35-31(30(25)27(37)13-15-38)24-10-6-8-22(16-24)9-7-14-36(4)5/h6,8,10-12,16-18,27,38H,13-15,19-21H2,1-5H3,(H,34,39)/t27-,43?/m0/s1
InChIKeyAUIPUTFGLWBLIN-LANXFFHOSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:129060) is a phenylpyridine (CHEBI:38193)
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