CHEBI:102756 - (3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:102756 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C35H48N4O4S Net Charge 0 Average Mass 620.847 Monoisotopic Mass 620.33963 InChI InChI=1S/C35H48N4O4S/c1-35(2,3)44(42)39-25-29-24-30(34(41)36-16-8-17-38-18-21-43-22-19-38)37-33(32(29)31(39)15-20-40)28-14-7-13-27(23-28)12-6-11-26-9-4-5-10-26/h7,13-14,23-24,26,31,40H,4-5,8-11,15-22,25H2,1-3H3,(H,36,41)/t31-,44?/m0/s1 InChIKey OLTIGOGRQNQZFN-RQPUMPGKSA-N SMILES CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)NCCCN5CCOCC5 ChEBI Ontology Outgoing (3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102756) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-14102 LINCS View more database links