(3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:126695)

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CHEBI:126695 - (3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:126695
ChEBI Name	(3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C37H46N4O6S
Net Charge	0
Average Mass	674.864
Monoisotopic Mass	674.31381
SMILES	COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCCCN4CCOCC4)cc4c3[C@@H](CCO)N(S(=O)C(C)(C)C)C4)c2)cc1OC
InChI	InChI=1S/C37H46N4O6S/c1-37(2,3)48(44)41-25-29-24-30(36(43)38-15-7-16-40-17-20-47-21-18-40)39-35(34(29)31(41)14-19-42)28-9-6-8-26(22-28)10-11-27-12-13-32(45-4)33(23-27)46-5/h6,8-9,12-13,22-24,31,42H,7,14-21,25H2,1-5H3,(H,38,43)/t31-,48?/m1/s1
InChIKey	YDENBZUGLLSFCX-IHAKTQQMSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-tert-butylsulfinyl-4-[3-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:126695) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-38258	LINCS