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CHEBI:101931 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101931
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC34H41N5O3S
Net Charge0
Average Mass599.801
Monoisotopic Mass599.29301
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO
InChIInChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-15-18-38-16-5-4-6-17-38)37-32(31(28)30(39)14-19-40)27-9-7-8-26(20-27)25-12-10-24(22-35)11-13-25/h7-13,20-21,30,40H,4-6,14-19,23H2,1-3H3,(H,36,41)/t30-,43-/m0/s1
InChIKeyTZEAMANOEIDNTF-IPKWWJLYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101931) is a biphenyls (CHEBI:22888)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101931) is a nitrile (CHEBI:18379)
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