(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101806)

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CHEBI:101806 - (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:101806
ChEBI Name	(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-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(-c4cccnc4)c3)c2[C@@H]1CCO
InChI	InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-16-26(32(39)35-17-21-9-10-28-29(14-21)42-20-41-28)36-31(30(25)27(37)11-13-38)23-7-4-6-22(15-23)24-8-5-12-34-18-24/h4-10,12,14-16,18,27,38H,11,13,17,19-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1
InChIKey	JSQFWOWYOCZIMF-AMDSOUHQSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101806) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-13168	LINCS