phenindione   

GtoPdb Ligand ID: 6838

Synonyms: Dindevan® | phenylindanedione
phenindione is an approved drug (FDA (approval date not available))
Compound class: Synthetic organic
Comment: Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 34.14
Molecular weight 222.07
XLogP 2.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1C(c2ccccc2)C(=O)c2c1cccc2
Isomeric SMILES O=C1C(c2ccccc2)C(=O)c2c1cccc2
InChI InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChI Key NFBAXHOPROOJAW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (approval date not available))
Withdrawn drug? Yes
IUPAC Name
2-phenyl-2,3-dihydro-1H-indene-1,3-dione
International Nonproprietary Names
INN number INN
23 phenindione
Synonyms
Dindevan® | phenylindanedione
Database Links
CAS Registry No. 83-12-5
ChEMBL Ligand CHEMBL711
DrugBank Ligand DB00498
DrugCentral Ligand 2130
GtoPdb PubChem SID 178103444
PubChem CID 4760
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Wikipedia Phenindione