CpY   Click here for help

GtoPdb Ligand ID: 11314

Compound class: Synthetic organic
Comment: CpY 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 6
Topological polar surface area 36.61
Molecular weight 275.19
XLogP 2.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC
Isomeric SMILES CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC
InChI InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1
InChI Key FXNNNICQCLNEPG-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethan-1-ol
Database Links Click here for help
GtoPdb PubChem SID 434321749
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