CHEBI:130542 - 1,3-benzodioxol-5-yl-[(3R)-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone

ChEBI IDCHEBI:130542
ChEBI Name1,3-benzodioxol-5-yl-[(3R)-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone
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DownloadsMolfile
FormulaC34H30FN3O6
Net Charge0
Average Mass595.627
Monoisotopic Mass595.21186
SMILESO=C(c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@@H](CCO)N(C(=O)c1ccc3c(c1)OCO3)C2)N1CCOCC1
InChIInChI=1S/C34H30FN3O6/c35-26-7-4-21(5-8-26)22-2-1-3-23(16-22)32-31-25(17-27(36-32)34(41)37-11-14-42-15-12-37)19-38(28(31)10-13-39)33(40)24-6-9-29-30(18-24)44-20-43-29/h1-9,16-18,28,39H,10-15,19-20H2/t28-/m1/s1
InChIKeyJCVYOTDVYFHCTF-MUUNZHRXSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-benzodioxol-5-yl-[(3R)-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]methanone (CHEBI:130542) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-42091LINCS