(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Ligand id: 8728

Name: (5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 109.74
Molecular weight 346.02
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database Links
ChEMBL Ligand CHEMBL1412784
GtoPdb PubChem SID 252827386
PubChem CID 1389577
Search Google for chemical match using the InChIKey KXFOCXRVKPGLHA-MDWZMJQESA-N
Search Google for chemicals with the same backbone KXFOCXRVKPGLHA
Search UniChem for chemical match using the InChIKey KXFOCXRVKPGLHA-MDWZMJQESA-N
Search UniChem for chemicals with the same backbone KXFOCXRVKPGLHA
Comments
This compound is a small molecule, reversible inhibitor of the regulator of G-protein signaling 4 (RGS4) protein.