(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101844)

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CHEBI:101844 - (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:101844
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C32H35N5O3S
Net Charge	0
Average Mass	569.731
Monoisotopic Mass	569.24606
SMILES	CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO
InChI	InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)35-16-11-22-9-14-33-15-10-22)36-30(29(26)28(37)12-17-38)24-7-4-6-23(18-24)25-8-5-13-34-20-25/h4-10,13-15,18-20,28,38H,11-12,16-17,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1
InChIKey	YESIXAXFOCXQOM-GIEABIOQSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101844) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-13206	LINCS