compound 1 [Gotteland et al., 1997]

Ligand id: 6722

Name: compound 1 [Gotteland et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.95
Molecular weight 443.14
XLogP 9.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine
Database Links
ChEMBL Ligand CHEMBL16178
PubChem CID 44270471
Search Google for chemical match using the InChIKey GZVZWBOHPHLQFU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GZVZWBOHPHLQFU
Search UniChem for chemical match using the InChIKey GZVZWBOHPHLQFU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GZVZWBOHPHLQFU