[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone (CHEBI:98201)

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CHEBI:98201 - [(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone

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ChEBI ID	CHEBI:98201
ChEBI Name	[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone
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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(-c4ccccc4F)c3)c2[C@H]1CCO
InChI	InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-23-19-26(30(37)34-15-7-4-8-16-34)33-29(28(23)27(35)14-17-36)22-11-9-10-21(18-22)24-12-5-6-13-25(24)32/h5-6,9-13,18-19,27,36H,4,7-8,14-17,20H2,1-3H3/t27-,39-/m1/s1
InChIKey	LDKZHRSADHZSDU-GAZSAWIUSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-piperidin-1-ylmethanone (CHEBI:98201) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-9580	LINCS