compound 11 [PMID: 7473541]   Click here for help

GtoPdb Ligand ID: 3096

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 67.79
Molecular weight 281.16
XLogP 2.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O
Isomeric SMILES CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O
InChI InChI=1S/C15H23NO4/c1-4-19-15(18)12-5-7-14(8-6-12)20-10-13(17)9-16-11(2)3/h5-8,11,13,16-17H,4,9-10H2,1-3H3
InChI Key SLTRHTRCERUIHA-UHFFFAOYSA-N