[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:102298)

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CHEBI:102298 - [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone

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ChEBI ID	CHEBI:102298
ChEBI Name	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
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Downloads	Molfile

Formula	C31H37FN4O3S
Net Charge	0
Average Mass	564.727
Monoisotopic Mass	564.25704
SMILES	CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5ccccc5F)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1
InChI	InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m0/s1
InChIKey	SXBHHBYKOFATQA-PDBZVODSSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone (CHEBI:102298) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-13651	LINCS