[(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:100619)

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CHEBI:100619 - [(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

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ChEBI ID	CHEBI:100619
ChEBI Name	[(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-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	COc1cccc(-c2cccc(-c3nc(C(=O)N4CCN(C)CC4)cc4c3[C@@H](CCO)N(S(=O)C(C)(C)C)C4)c2)c1
InChI	InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-25-20-27(31(38)35-15-13-34(4)14-16-35)33-30(29(25)28(36)12-17-37)24-10-6-8-22(18-24)23-9-7-11-26(19-23)40-5/h6-11,18-20,28,37H,12-17,21H2,1-5H3/t28-,41?/m1/s1
InChIKey	COBDXBQOFDTBIX-MEUHZGSUSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:100619) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11993	LINCS