General Information of the Compound
| Compound ID |
CP0501243
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(4-carboxyphenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C15H17NO6
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| Molecular Weight |
307.302
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| Canonical SMILES |
N[C@@H](C[C@@H](C\C=C\c1ccc(cc1)C(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C15H17NO6/c16-12(15(21)22)8-11(14(19)20)3-1-2-9-4-6-10(7-5-9)13(17)18/h1-2,4-7,11-12H,3,8,16H2,(H,17,18)(H,19,20)(H,21,22)/b2-1+/t11-,12+/m1/s1
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| InChIKey |
XMCWRYHYVKPHFB-HHDBNCKJSA-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