NE97220

Ligand id: 3171

Name: NE97220

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 159.6
Molecular weight 282.02
XLogP -2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{[(3-methylpyridin-2-yl)amino](phosphono)methyl}phosphonic acid
Synonyms
CGA 103586 | NE 97220 | Q 332
Database Links
CAS Registry No. 70010-76-3 (source: Scifinder)
ChEMBL Ligand CHEMBL55140
PubChem CID 5276531
RCSB PDB Ligand 3YQ
Search Google for chemical match using the InChIKey NAIJOBGUXRHQJW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NAIJOBGUXRHQJW
Search UniChem for chemical match using the InChIKey NAIJOBGUXRHQJW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NAIJOBGUXRHQJW