CHEBI:102363 - [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone ChEBI ID CHEBI:102363 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 C34H36N4O3S Net Charge 0 Average Mass 580.742 Monoisotopic Mass 580.25081 InChI InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-20-29(33(40)37-17-13-23-7-4-5-8-27(23)21-37)36-32(31(28)30(38)14-18-39)26-10-6-9-25(19-26)24-11-15-35-16-12-24/h4-12,15-16,19-20,30,39H,13-14,17-18,21-22H2,1-3H3/t30-,42-/m1/s1 InChIKey HAAGBLBLWADVDZ-SBEKKQRLSA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)N5CCC6=CC=CC=C6C5 ChEBI Ontology Outgoing [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CHEBI:102363) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-13715 LINCS View more database links