BOSENTAN Next Previous

ChEMBL ID CHEMBL957
PubChem CID 104865
DrugBank Accession Number DB00559
ClinicalTrials BOSENTAN
Molecular Formula C27H29N5O6S
Inchikey GJPICJJJRGTNOD-UHFFFAOYSA-N

Smiles
COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4

Synonyms
Tracleer, Ro-47-0203-029, Bosentan, Ro-470203029

Libraries
ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 551.61
Rotatable Bonds 11
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) 0.09
LogD (ACD) 0.09
ALogP 3.95
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