compound 20 [Shechter et al., 1996]

Ligand id: 3062

Name: compound 20 [Shechter et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 65.58
Molecular weight 403.22
XLogP 8.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{dimethyl[5-(4-phenylphenyl)pentyl]azaniumyl}butane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL87659
GtoPdb PubChem SID 135649798
PubChem CID 10092584
Search Google for chemical match using the InChIKey XPCLHFQZYFKTAI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XPCLHFQZYFKTAI
Search UniChem for chemical match using the InChIKey XPCLHFQZYFKTAI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XPCLHFQZYFKTAI