(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97079)

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CHEBI:97079 - (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:97079
ChEBI Name	(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C32H44N4O5S
Net Charge	0
Average Mass	596.794
Monoisotopic Mass	596.30324
SMILES	CC(C)(O)C#Cc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c2[C@@H](CCO)N(S(=O)C(C)(C)C)C3)c1
InChI	InChI=1S/C32H44N4O5S/c1-31(2,3)42(40)36-22-25-21-26(30(38)33-13-7-14-35-15-18-41-19-16-35)34-29(28(25)27(36)11-17-37)24-9-6-8-23(20-24)10-12-32(4,5)39/h6,8-9,20-21,27,37,39H,7,11,13-19,22H2,1-5H3,(H,33,38)/t27-,42?/m1/s1
InChIKey	UFLNOMSZNUMDSV-IJEDNORESA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:97079) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-8458	LINCS