CHEBI:98955 - (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-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-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:98955
Stars This entity has been manually annotated by a third party.
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Formula C34H44N4O5S
Net Charge 0
Average Mass 620.804
Monoisotopic Mass 620.30324
InChI InChI=1S/C34H44N4O5S/c1-34(2,3)44(41)38-23-27-22-29(33(40)35-13-7-14-37-15-18-43-19-16-37)36-32(31(27)30(38)12-17-39)26-10-5-8-24(20-26)25-9-6-11-28(21-25)42-4/h5-6,8-11,20-22,30,39H,7,12-19,23H2,1-4H3,(H,35,40)/t30-,44?/m1/s1
InChIKey NZSCNZRATUWXGR-RMCGNSPKSA-N
SMILES CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCCCN5CCOCC5
ChEBI Ontology
Outgoing (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98955) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-10334 LINCS
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