General Information of the Compound
| Compound ID |
CP0407313
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[hydroxy-(4-methoxy-3-nitrophenyl)methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C12H17N2O8P
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| Molecular Weight |
348.248
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| Canonical SMILES |
COc1ccc(cc1[N+]([O-])=O)C(O)P(O)(=O)CC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)/t8-,12?/m0/s1
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| InChIKey |
HSHWJQGGJKYMDI-KBPLZSHQSA-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: PT02739, Metabotropic glutamate receptor 8