General Information of the Compound
| Compound ID |
CP0414144
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[(S)-hydroxy-(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C12H17N2O9P
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| Molecular Weight |
364.247
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| Canonical SMILES |
COc1cc(cc(c1O)[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12-/m0/s1
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| InChIKey |
PEXVMHLARUAHNC-MADCSZMMSA-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: PT01311, Metabotropic glutamate receptor 7
Protein ID: PT02739, Metabotropic glutamate receptor 8