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CHEBI:127482 - (3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:127482
ChEBI Name(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC32H45N5O4S
Net Charge0
Average Mass595.810
Monoisotopic Mass595.31923
SMILESCN(C)CC#Cc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c2[C@H](CCO)N(S(=O)C(C)(C)C)C3)c1
InChIInChI=1S/C32H45N5O4S/c1-32(2,3)42(40)37-23-26-22-27(31(39)33-13-8-15-36-16-19-41-20-17-36)34-30(29(26)28(37)12-18-38)25-11-6-9-24(21-25)10-7-14-35(4)5/h6,9,11,21-22,28,38H,8,12-20,23H2,1-5H3,(H,33,39)/t28-,42?/m0/s1
InChIKeyZULKXFIPSRALQH-DHZXTJRXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:127482) is a phenylpyridine (CHEBI:38193)
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