General Information of the Compound
| Compound ID |
CP0398064
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| Compound Name |
2-amino-3-[2-(2-carboxyethyl)-5-chlorophenyl]propanoic acid
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| Structure |
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| Formula |
C12H14ClNO4
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| Molecular Weight |
271.7
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| Canonical SMILES |
NC(Cc1cc(Cl)ccc1CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H14ClNO4/c13-9-3-1-7(2-4-11(15)16)8(5-9)6-10(14)12(17)18/h1,3,5,10H,2,4,6,14H2,(H,15,16)(H,17,18)
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| InChIKey |
WQODZVFQXVNTSC-UHFFFAOYSA-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: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3