[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone (CHEBI:99750)

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CHEBI:99750 - [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone

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ChEBI ID	CHEBI:99750
ChEBI Name	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone
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Downloads	Molfile

Formula	C31H36FN3O3S
Net Charge	0
Average Mass	549.712
Monoisotopic Mass	549.24614
SMILES	CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-24-19-26(30(37)34-15-5-4-6-16-34)33-29(28(24)27(35)14-17-36)23-9-7-8-22(18-23)21-10-12-25(32)13-11-21/h7-13,18-19,27,36H,4-6,14-17,20H2,1-3H3/t27-,39-/m0/s1
InChIKey	OMSQUWKQKRPVCL-XGFTYPEHSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone (CHEBI:99750) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11129	LINCS