General Information of the Compound
| Compound ID |
CP0448006
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| Compound Name |
(S)-2-Amino-4-(2,2-dimethyl-propylidene)-pentanedioic acid
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| Structure |
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| Formula |
C10H17NO4
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| Molecular Weight |
215.249
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| Canonical SMILES |
CC(C)(C)\C=C(/C[C@H](N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C10H17NO4/c1-10(2,3)5-6(8(12)13)4-7(11)9(14)15/h5,7H,4,11H2,1-3H3,(H,12,13)(H,14,15)/b6-5+/t7-/m0/s1
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| InChIKey |
BCXVOKLWYKYHIS-XPPMVYLVSA-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