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Small molecule Experimental
AACT ChEMBL DrugBank Drug Central MeSH PubChem repoDB

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Chemistry

Mol. Mass

476.9

ALogP

3.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: [Na+].Cc1cc2OCOc2cc1CC(=O)c3sccc3S(=O)(=O)[N-]c4onc(C)c4Cl
  • InChIKey: MDTNUYUCUYPIHE-UHFFFAOYSA-N
    InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2105740   ChEMBL
sitaxentan sodium

CHEMBL282724   ChEMBL
sitaxentan

Sitaxentan   Wikipedia

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