gemilukast Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

601.69

ALogP

7.61

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cc1c(F)cccc1CCCCOc1ccc(C#Cc2ccc(F)c3c(CCCC(=O)O)c(C)n(CCCC(=O)O)c23)cc1
  • InChIKey: SILHYVDKGHXGBL-UHFFFAOYSA-N
    InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3597634   ChEMBL
gemilukast

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