General Information of the Compound
| Compound ID |
CP0447054
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| Compound Name |
(2S)-2-amino-4-[[(3-ethoxy-4-hydroxy-5-nitrophenyl)-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
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| Structure |
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| Formula |
C13H19N2O9P
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| Molecular Weight |
378.274
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| Canonical SMILES |
CCOc1cc(cc(c1O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C13H19N2O9P/c1-2-24-10-6-7(5-9(11(10)16)15(20)21)13(19)25(22,23)4-3-8(14)12(17)18/h5-6,8,13,16,19H,2-4,14H2,1H3,(H,17,18)(H,22,23)/t8-,13?/m0/s1
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| InChIKey |
ZURCCCJDFZTXBT-OADYLZGLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT02739, Metabotropic glutamate receptor 8