General Information of the Compound
| Compound ID |
CP0448620
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(2,6-dichlorophenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C14H15Cl2NO4
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| Molecular Weight |
332.183
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| Canonical SMILES |
N[C@@H](C[C@@H](C\C=C\c1c(Cl)cccc1Cl)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C14H15Cl2NO4/c15-10-5-2-6-11(16)9(10)4-1-3-8(13(18)19)7-12(17)14(20)21/h1-2,4-6,8,12H,3,7,17H2,(H,18,19)(H,20,21)/b4-1+/t8-,12+/m1/s1
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| InChIKey |
SUPABNAXCCLJMI-PRWSZKMTSA-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