(3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99181)

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CHEBI:99181 - (3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:99181
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C31H32FN5O3S
Net Charge	0
Average Mass	573.694
Monoisotopic Mass	573.22099
SMILES	CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO
InChI	InChI=1S/C31H32FN5O3S/c1-31(2,3)41(40)37-18-23-14-26(30(39)35-17-22-7-4-5-10-25(22)32)36-29(28(23)27(37)11-12-38)21-9-6-8-20(13-21)24-15-33-19-34-16-24/h4-10,13-16,19,27,38H,11-12,17-18H2,1-3H3,(H,35,39)/t27-,41-/m1/s1
InChIKey	YBJDMCPYPJWKRF-KWAZPYRMSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99181) is a pyrimidines (CHEBI:39447)

Manual Xrefs	Databases
LSM-10560	LINCS