compound 4d [PMID: 25489658]

Ligand id: 8483

Name: compound 4d [PMID: 25489658]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 391.95
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3-chlorophenyl) 6-(bromomethyl)-2-oxochromene-3-carboxylate
Database Links
GtoPdb PubChem SID 252166691
PubChem CID 90170031
Search Google for chemical match using the InChIKey RNWNTBMGGUARMR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RNWNTBMGGUARMR
Search UniChem for chemical match using the InChIKey RNWNTBMGGUARMR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RNWNTBMGGUARMR
Comments
Compound 4d is reported as an irreversible, non-peptide inhibitor of kallikrein proteins [3]. This compound appears to be patent protected by US-9006466-B2 [2].