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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:130542
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H30FN3O6
Net Charge 0
Average Mass 595.618
Monoisotopic Mass 595.21186
InChI InChI=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
InChIKey JCVYOTDVYFHCTF-MUUNZHRXSA-N
SMILES C1COCCN1C(=O)C2=NC(=C3[C@H](N(CC3=C2)C(=O)C4=CC5=C(C=C4)OCO5)CCO)C6=CC=CC(=C6)C7=CC=C(C=C7)F
ChEBI Ontology
Outgoing 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 Xref Database
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