macitentan (opsumit) Report issue

Small molecule Orphan Drug FDA Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

588.273

ALogP

3.57

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCNS(=O)(=O)NC1=C(C2=CC=C(Br)C=C2)C(OCCOC3=NC=C(Br)C=N3)=NC=N1
  • InChIKey: JGCMEBMXRHSZKX-UHFFFAOYSA-N
    1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2103873   ChEMBL
macitentan

Z9K9Y9WMVL   NCATS
macitentan *

Macitentan   Wikipedia

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