General Information of the Compound
| Compound ID |
CP0479891
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(2-chlorophenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C14H16ClNO4
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| Molecular Weight |
297.738
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| Canonical SMILES |
N[C@@H](C[C@@H](C\C=C\c1ccccc1Cl)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C14H16ClNO4/c15-11-7-2-1-4-9(11)5-3-6-10(13(17)18)8-12(16)14(19)20/h1-5,7,10,12H,6,8,16H2,(H,17,18)(H,19,20)/b5-3+/t10-,12+/m1/s1
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| InChIKey |
XKKGRODPPCESPG-PEWKINPCSA-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: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2