aprocitentan

Ligand id: 10070

Name: aprocitentan

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 150.59
Molecular weight 543.92
XLogP 2.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
Synonyms
ACT-132577
Comments
Endothelin receptor antagonist and a pharmacologically active metabolite of macitentan.
Database Links
CAS Registry No. 1103522-45-7
GtoPdb PubChem SID 375973257
PubChem CID 25099191
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