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CHEBI:101742 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101742
ChEBI Name(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC33H33N5O3S
Net Charge0
Average Mass579.726
Monoisotopic Mass579.23041
SMILESCC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO
InChIInChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-22-10-13-35-14-11-22)37-31(30(27)29(38)12-15-39)26-9-5-8-25(17-26)24-7-4-6-23(16-24)19-34/h4-11,13-14,16-18,29,39H,12,15,20-21H2,1-3H3,(H,36,40)/t29-,42-/m1/s1
InChIKeyAXJWSZCRWHPALT-LIIBOVGXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101742) is a biphenyls (CHEBI:22888)
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101742) is a nitrile (CHEBI:18379)
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