practolol   Click here for help

GtoPdb Ligand ID: 555

Synonyms: AY-21011 | ICI-50172
Approved drug
practolol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug practolol is mixture of two enantiomers; (R)-practolol and (S)-practolol. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 70.59
Molecular weight 266.16
XLogP 1.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1ccc(cc1)NC(=O)C)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)NC(=O)C)CNC(C)C
InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
InChI Key DURULFYMVIFBIR-UHFFFAOYSA-N