General Information of the Compound
| Compound ID |
CP0414156
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[hydroxy-[4-nitro-3-(trifluoromethyl)phenyl]methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C12H14F3N2O7P
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| Molecular Weight |
386.219
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)/t8-,11?/m0/s1
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| InChIKey |
INJDHNMOEVKOSN-YMNIQAILSA-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