CHEBI:102242 - (3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)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 (3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:102242
Stars This entity has been manually annotated by a third party.
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Formula C33H41FN4O4S
Net Charge 0
Average Mass 608.769
Monoisotopic Mass 608.28326
InChI InChI=1S/C33H41FN4O4S/c1-33(2,3)43(41)38-22-26-21-28(32(40)35-12-6-13-37-14-17-42-18-15-37)36-31(30(26)29(38)11-16-39)25-9-4-7-23(19-25)24-8-5-10-27(34)20-24/h4-5,7-10,19-21,29,39H,6,11-18,22H2,1-3H3,(H,35,40)/t29-,43?/m1/s1
InChIKey LANWNDDZUXSLHG-CSOJFCJSSA-N
SMILES CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCCN5CCOCC5
ChEBI Ontology
Outgoing (3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102242) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-13598 LINCS
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