bosentan (tracleer) 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

551.614

ALogP

4.2

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC1=C(OC2=C(OCCO)N=C(N=C2NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4)C=CC=C1
  • InChIKey: GJPICJJJRGTNOD-UHFFFAOYSA-N
    1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL957   ChEMBL
bosentan

XUL93R30K2   NCATS
bosentan anhydrous *

Bosentan   Wikipedia

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