acenocoumarol

Ligand id: 9015

Name: acenocoumarol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.74
Molecular weight 353.09
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
International Nonproprietary Names
INN number INN
503 acenocoumarol
Synonyms
Sinthrome® | Sintrom®
Database Links
ChEMBL Ligand CHEMBL397420
PubChem CID 54676537
Search Google for chemical match using the InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VABCILAOYCMVPS
Search PubMed clinical trials acenocoumarol
Search PubMed titles acenocoumarol
Search PubMed titles/abstracts acenocoumarol
Search UniChem for chemical match using the InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VABCILAOYCMVPS
Comments
Acenocoumarol is a coumarin that is used as an anticoagulant, with actions and uses similar to warfarin. The coumarins are vitamin K epoxide reductase antagonists.