General Information of the Compound
| Compound ID |
CP0459917
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| Compound Name |
(2S,4R)-2-amino-4-[2-(phenylmethoxycarbonylamino)ethyl]pentanedioic acid
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| Structure |
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| Formula |
C15H20N2O6
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| Molecular Weight |
324.333
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| Canonical SMILES |
N[C@@H](C[C@@H](CCNC(=O)OCc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C15H20N2O6/c16-12(14(20)21)8-11(13(18)19)6-7-17-15(22)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,22)(H,18,19)(H,20,21)/t11-,12+/m1/s1
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| InChIKey |
FOWLPLJQDVNWOP-NEPJUHHUSA-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: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03879, Excitatory amino acid transporter 3
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3