VPC44116

Ligand id: 2930

Name: VPC44116

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 122.46
Molecular weight 370.2
XLogP 4.39
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid
Synonyms
VPC-44116
Database Links
BindingDB Ligand 50198836
CAS Registry No. 1161429-70-4 (source: Scifinder)
ChEMBL Ligand CHEMBL389033
PubChem CID 11545181
Search Google for chemical match using the InChIKey FMLHSOGKNHADEE-QGZVFWFLSA-N
Search Google for chemicals with the same backbone FMLHSOGKNHADEE
Search UniChem for chemical match using the InChIKey FMLHSOGKNHADEE-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone FMLHSOGKNHADEE