CID1792197

Ligand id: 5563

Name: CID1792197

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 128.21
Molecular weight 481.11
XLogP 6.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2-methoxyphenyl)-N-[[4-(methyl-phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
Synonyms
CID 1792197
Database Links
CAS Registry No. 1164479-69-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1532240
GtoPdb PubChem SID 178102201
PubChem CID 1792197
Search Google for chemical match using the InChIKey XOMQERYBMDFBAG-SFQUDFHCSA-N
Search Google for chemicals with the same backbone XOMQERYBMDFBAG
Search UniChem for chemical match using the InChIKey XOMQERYBMDFBAG-SFQUDFHCSA-N
Search UniChem for chemicals with the same backbone XOMQERYBMDFBAG