(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99283)

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CHEBI:99283 - (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:99283
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C29H32F3N3O4S
Net Charge	0
Average Mass	575.653
Monoisotopic Mass	575.20656
SMILES	COc1ccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1
InChI	InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)12-13-36)20-7-5-6-19(14-20)18-8-10-22(39-4)11-9-18/h5-11,14-15,24,36H,12-13,16-17H2,1-4H3,(H,33,37)/t24-,40-/m1/s1
InChIKey	KLCJYDRSSANISD-MMVPYHRJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99283) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-10662	LINCS