(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100116)

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CHEBI:100116 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:100116
ChEBI Name	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C28H32FN3O3S
Net Charge	0
Average Mass	509.647
Monoisotopic Mass	509.21484
SMILES	CN(C)C(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChI	InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m0/s1
InChIKey	AGIZNZOEGDEWTD-TVYQXRCNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100116) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-11495	LINCS