(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99277)

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CHEBI:99277 - (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:99277
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C29H35N3O4S
Net Charge	0
Average Mass	521.683
Monoisotopic Mass	521.23483
SMILES	COc1ccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1
InChI	InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m1/s1
InChIKey	QYSQYMZBXYWZNF-TWEZTRHFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99277) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-10656	LINCS