General Information of the Compound
| Compound ID |
CP0496393
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C16H21NO6
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| Molecular Weight |
323.345
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| Canonical SMILES |
COc1ccc(\C=C\C[C@H](C[C@H](N)C(O)=O)C(O)=O)cc1OC
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| InChI |
InChI=1S/C16H21NO6/c1-22-13-7-6-10(8-14(13)23-2)4-3-5-11(15(18)19)9-12(17)16(20)21/h3-4,6-8,11-12H,5,9,17H2,1-2H3,(H,18,19)(H,20,21)/b4-3+/t11-,12+/m1/s1
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| InChIKey |
QCPZITTZIDOXGX-LXYZTQFVSA-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