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Chemistry

Mol. Mass

454.91

ALogP

3.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cc2OCOc2cc1CC(=O)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl
  • InChIKey: PHWXUGHIIBDVKD-UHFFFAOYSA-N
    InChI=1S/C18H15ClN2O6S2/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/h3-5,7,21H,6,8H2,1-2H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL282724   ChEMBL
sitaxentan *

CHEMBL1405   ChEMBL
estrone

CHEMBL2105740   ChEMBL
sitaxentan sodium

2DI9HA706A   NCATS
estrone *

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