CHEBI:97724 - [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

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ChEBI Name [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
ChEBI ID CHEBI:97724
Stars This entity has been manually annotated by a third party.
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Formula C33H35N5O3S
Net Charge 0
Average Mass 581.730
Monoisotopic Mass 581.24606
InChI InChI=1S/C33H35N5O3S/c1-33(2,3)42(41)38-20-26-16-28(32(40)37-13-11-22-7-4-5-8-25(22)19-37)36-31(30(26)29(38)12-14-39)24-10-6-9-23(15-24)27-17-34-21-35-18-27/h4-10,15-18,21,29,39H,11-14,19-20H2,1-3H3/t29-,42-/m1/s1
InChIKey YCXBLOUOQVZMFH-LIIBOVGXSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CN=C4)C(=O)N5CCC6=CC=CC=C6C5
ChEBI Ontology
Outgoing [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CHEBI:97724) is a pyrimidines (CHEBI:39447)
Manual Xref Database
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