CpX   Click here for help

GtoPdb Ligand ID: 11313

Compound class: Synthetic organic
Comment: CpX is a benzofuran ethanolamine derivative that behaves as a LPA1-3 receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 36.61
Molecular weight 261.17
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC
Isomeric SMILES CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC
InChI InChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1
InChI Key GJLKKMYIDLNMFF-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethan-1-ol
Database Links Click here for help
GtoPdb PubChem SID 434321748
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