bosentan
SMILES | OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1 |
InChIKey | GJPICJJJRGTNOD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 551.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 5XPR |