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Small molecule Experimental
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Chemistry

Mol. Mass

546.2

ALogP

2.53

Rule of 5

No

Rule of 3

No
Details
  • SMILES: NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
  • InChIKey: DKULOVKANLVDEA-UHFFFAOYSA-N
    InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2165326   ChEMBL
aprocitentan

Era   Wikipedia

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