General Information of the Compound
| Compound ID |
CP0507050
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| Compound Name |
(2S)-2-amino-4-[[(3,5-dinitrophenyl)-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
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| Structure |
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| Formula |
C11H14N3O9P
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| Molecular Weight |
363.219
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C11H14N3O9P/c12-9(10(15)16)1-2-24(22,23)11(17)6-3-7(13(18)19)5-8(4-6)14(20)21/h3-5,9,11,17H,1-2,12H2,(H,15,16)(H,22,23)/t9-,11?/m0/s1
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| InChIKey |
DQSCBDQEXPEZEO-FTNKSUMCSA-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