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Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

440.54

ALogP

4.12

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCCNC(=O)c1coc([C@H]2[C@@H](Cc3ccccc3CCC(=O)O)[C@@H]3CC[C@H]2O3)n1
  • InChIKey: BBPRUNPUJIUXSE-DXKRWKNPSA-N
    InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3301673   ChEMBL
ifetroban

CHEMBL3301674   ChEMBL
ifetroban sodium

Ifetroban   Wikipedia

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