(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100939)

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CHEBI:100939 - (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:100939
ChEBI Name	(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C33H34N4O5S
Net Charge	0
Average Mass	598.725
Monoisotopic Mass	598.22499
SMILES	CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO
InChI	InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m1/s1
InChIKey	OLAATLBQFXJPIK-ACXULAKISA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100939) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-12312	LINCS