General Information of the Compound
| Compound ID |
CP0404301
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| Compound Name |
(2S,4R)-2-amino-4-(2-cyanoethyl)pentanedioic acid
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| Structure |
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| Formula |
C8H12N2O4
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| Molecular Weight |
200.194
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| Canonical SMILES |
N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C8H12N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-2,4,10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
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| InChIKey |
LBUMBNGDQWIQCM-RITPCOANSA-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: PT03541, Excitatory amino acid transporter 2
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3