compound 1e [Brown et al., 1997]

Ligand id: 3089

Name: compound 1e [Brown et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.77
Molecular weight 367.21
XLogP 5.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 4-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)-3-(prop-2-en-1-yl)phenyl]butanoate
Database Links
ChEMBL Ligand CHEMBL345611
GtoPdb PubChem SID 135650589
PubChem CID 44370557
Search Google for chemical match using the InChIKey HHTIXSHHLJGQCQ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey HHTIXSHHLJGQCQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HHTIXSHHLJGQCQ