General Information of the Compound
| Compound ID |
CP0453300
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(4-nitrophenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C14H16N2O6
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| Molecular Weight |
308.29
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| Canonical SMILES |
N[C@@H](C[C@@H](C\C=C\c1ccc(cc1)[N+]([O-])=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C14H16N2O6/c15-12(14(19)20)8-10(13(17)18)3-1-2-9-4-6-11(7-5-9)16(21)22/h1-2,4-7,10,12H,3,8,15H2,(H,17,18)(H,19,20)/b2-1+/t10-,12+/m1/s1
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| InChIKey |
BULGXLRXTZIIKZ-QNDCKANFSA-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