General Information of the Compound
| Compound ID |
CP0390453
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[hydroxy-(5-nitrothiophen-3-yl)methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C9H13N2O7PS
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| Molecular Weight |
324.251
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1csc(c1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)/t6-,9?/m0/s1
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| InChIKey |
GDELUTDICYGXSV-AADKRJSRSA-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: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT02744, Metabotropic glutamate receptor 6
Protein ID: PT02739, Metabotropic glutamate receptor 8