compound 12 [PMID: 12014956]

Ligand id: 3192

Name: compound 12 [PMID: 12014956]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 136.15
Molecular weight 399.16
XLogP 0.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{[(3-{[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)amino}propoxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Synonyms
AC1NV8HB
Database Links
ChEMBL Ligand CHEMBL419627
GtoPdb PubChem SID 135649719
PubChem CID 5473007
Search Google for chemical match using the InChIKey PNEIVJAQBZSMGD-XNTDXEJSSA-N
Search Google for chemicals with the same backbone PNEIVJAQBZSMGD
Search UniChem for chemical match using the InChIKey PNEIVJAQBZSMGD-XNTDXEJSSA-N
Search UniChem for chemicals with the same backbone PNEIVJAQBZSMGD