KGP94

Ligand id: 6533

Name: KGP94

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 102.73
Molecular weight 348.99
XLogP 4.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(E)-[(3-bromophenyl)(3-hydroxyphenyl)methylidene]amino]thiourea
Database Links
CAS Registry No. 1131456-28-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1269632
PubChem CID 52944285
Search Google for chemical match using the InChIKey ZDBKSZKTCPOBFR-LGMDPLHJSA-N
Search Google for chemicals with the same backbone ZDBKSZKTCPOBFR
Search UniChem for chemical match using the InChIKey ZDBKSZKTCPOBFR-LGMDPLHJSA-N
Search UniChem for chemicals with the same backbone ZDBKSZKTCPOBFR
Comments
CATL inhibitor. The Z stereoisoform is represented by CID 25234575.