almorexant Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

512.57

ALogP

5.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1
  • InChIKey: DKMACHNQISHMDN-RPLLCQBOSA-N
    InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL455136   ChEMBL
almorexant

Almorexant   Wikipedia

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