[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:101261)

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CHEBI:101261 - [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

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ChEBI ID	CHEBI:101261
ChEBI Name	[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
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Downloads	Molfile

Formula	C32H40N4O4S
Net Charge	0
Average Mass	576.763
Monoisotopic Mass	576.27703
SMILES	COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCN(C)CC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1
InChI	InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m0/s1
InChIKey	XPPDMEIYHITZLE-JNGYJVBXSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:101261) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-12628	LINCS