(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101445)

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CHEBI:101445 - (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI ID	CHEBI:101445
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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Downloads	Molfile

Formula	C34H42N4O4S
Net Charge	0
Average Mass	602.801
Monoisotopic Mass	602.29268
SMILES	CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1
InChI	InChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-21-26-20-28(32(40)35-27-11-6-7-12-27)36-31(30(26)29(38)17-18-39)25-10-8-9-24(19-25)22-13-15-23(16-14-22)33(41)37(4)5/h8-10,13-16,19-20,27,29,39H,6-7,11-12,17-18,21H2,1-5H3,(H,35,40)/t29-,43-/m1/s1
InChIKey	BQTKZBMOPJVAHJ-WXTZLZKPSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101445) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-12808	LINCS