LUF5831

Ligand id: 376

Name: LUF5831

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 152.25
Molecular weight 312.07
XLogP 0.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile
Synonyms
LUF 5831 | LUF-5831
Database Links
CAS Registry No. 333963-57-8 (source: Scifinder)
ChEMBL Ligand CHEMBL175788
PubChem CID 9948668
Search Google for chemical match using the InChIKey GYIHPWFWFRELQC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GYIHPWFWFRELQC
Search UniChem for chemical match using the InChIKey GYIHPWFWFRELQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GYIHPWFWFRELQC
Comments
The tautomer represented by this ligand entry is the same as that shown in the listed references, and represented by the ChEMBL entry and CAS number listed above. The structure on the PubChem entry linked to above shows a different tautomer, with InChi Key IFNPALBTVAZLMZ-UHFFFAOYSA-N.