compound 7 [PMID: 18754614]

Ligand id: 3079

Name: compound 7 [PMID: 18754614]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 60.94
Molecular weight 393.04
XLogP 4.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-(5-bromothiophen-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol
Database Links
ChEMBL Ligand CHEMBL460133
PubChem CID 44569287
Search Google for chemical match using the InChIKey NQOYZHHHGSRJGT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NQOYZHHHGSRJGT
Search UniChem for chemical match using the InChIKey NQOYZHHHGSRJGT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NQOYZHHHGSRJGT