tipelukast Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

530.68

ALogP

6.51

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCc1c(O)c(ccc1SCCCOc2ccc(C(=O)C)c(OCCCC(=O)O)c2CCC)C(=O)C
  • InChIKey: KPWYNAGOBXLMSE-UHFFFAOYSA-N
    InChI=1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2104988   ChEMBL
tipelukast

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