[3H]kainate   Click here for help

GtoPdb Ligand ID: 4085

 Ligand is labelled  Ligand is radioactive
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 92.29
Molecular weight 211.08
XLogP -1.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-]C(=O)CC1C(CNC1C(=O)[O-])C(=C)C
Isomeric SMILES [O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C
InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1
InChI Key VLSMHEGGTFMBBZ-OOZYFLPDSA-L