Structure

InChI Key WSHYKIAQCMIPTB-UHFFFAOYSA-M
Smile CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+]
InChI
InChI=1S/C19H16O4.K/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15KO4
Molecular Weight 346.42
AlogP 3.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 67.51
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Thromboembolism 3 D013923 ClinicalTrials
Venous Thrombosis 1 D020246 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1200772
EPA CompTox DTXSID5042324
FDA SRS I47IU4FOCO
PubChem 23706212
SureChEMBL SCHEMBL36363