anisindione   

GtoPdb Ligand ID: 6960

Synonyms: Miradon®
anisindione is an approved drug (FDA (1957))
Compound class: Synthetic organic
Comment: Anisindione is a synthetic anticoagulant which inhibits vitamin K-dependent gamma-carboxylase.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 43.37
Molecular weight 252.08
XLogP 2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2
Isomeric SMILES COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChI Key XRCFXMGQEVUZFC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
IUPAC Name
2-(4-methoxyphenyl)indene-1,3-dione
International Nonproprietary Names
INN number INN
854 anisindione
Synonyms
Miradon®
Comments
Anisindione is a synthetic anticoagulant which inhibits vitamin K-dependent gamma-carboxylase.
Database Links
CAS Registry No. 117-37-3
ChEMBL Ligand CHEMBL712
DrugBank Ligand DB01125
DrugCentral Ligand 222
GtoPdb PubChem SID 178103541
PubChem CID 2197
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Wikipedia Anisindione