compound 13k [PMID: 22390415]

Ligand id: 7579

Name: compound 13k [PMID: 22390415]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 168.83
Molecular weight 402.07
XLogP 0.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[phosphono-[[4-(4-propan-2-yloxyphenyl)pyridin-2-yl]amino]methyl]phosphonic acid
Database Links
ChEMBL Ligand CHEMBL2048241
PubChem CID 54674305
RCSB PDB Ligand YS4
Search Google for chemical match using the InChIKey DTXBFSJBRGLOHO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DTXBFSJBRGLOHO
Search UniChem for chemical match using the InChIKey DTXBFSJBRGLOHO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DTXBFSJBRGLOHO