compound 2 [Dreyer et al., 1991]

Ligand id: 7991

Name: compound 2 [Dreyer et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 412.08
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-3,5-dihydroxyheptanoic acid
Database Links
ChEMBL Ligand CHEMBL39312
GtoPdb PubChem SID 249565672
PubChem CID 44285668
Search Google for chemical match using the InChIKey VWKZOIOUHUHQKZ-HZPDHXFCSA-N
Search Google for chemicals with the same backbone VWKZOIOUHUHQKZ
Search UniChem for chemical match using the InChIKey VWKZOIOUHUHQKZ-HZPDHXFCSA-N
Search UniChem for chemicals with the same backbone VWKZOIOUHUHQKZ
Comments
This ligand is referred to as compound 2 in the reference Dreyer et al., 1991 [1], for which no PMID is available.