compound 11 [PMID: 7473541]

Ligand id: 3096

Name: compound 11 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 67.79
Molecular weight 281.16
XLogP 2.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate
Database Links
ChEMBL Ligand CHEMBL31608
GtoPdb PubChem SID 135650242
PubChem CID 12238216
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Search Google for chemicals with the same backbone SLTRHTRCERUIHA
Search UniChem for chemical match using the InChIKey SLTRHTRCERUIHA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SLTRHTRCERUIHA