[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone (CHEBI:100125)

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CHEBI:100125 - [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone

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ChEBI ID	CHEBI:100125
ChEBI Name	[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
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Downloads	Molfile

Formula	C31H37N3O5S
Net Charge	0
Average Mass	563.720
Monoisotopic Mass	563.24539
SMILES	COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCOCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1
InChI	InChI=1S/C31H37N3O5S/c1-31(2,3)40(37)34-20-23-19-25(30(36)33-13-16-39-17-14-33)32-29(28(23)26(34)12-15-35)22-9-7-8-21(18-22)24-10-5-6-11-27(24)38-4/h5-11,18-19,26,35H,12-17,20H2,1-4H3/t26-,40-/m1/s1
InChIKey	BNSXJPHXNABYAG-ZCQGCHJCSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone (CHEBI:100125) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11504	LINCS