General Information of the Compound
| Compound ID |
CP0419816
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| Compound Name |
5-[[[(3S)-3-amino-3-carboxypropyl]-hydroxyphosphoryl]-hydroxymethyl]-2-hydroxybenzoic acid
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| Structure |
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| Formula |
C12H16NO8P
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| Molecular Weight |
333.233
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1ccc(O)c(c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H16NO8P/c13-8(11(17)18)3-4-22(20,21)12(19)6-1-2-9(14)7(5-6)10(15)16/h1-2,5,8,12,14,19H,3-4,13H2,(H,15,16)(H,17,18)(H,20,21)/t8-,12?/m0/s1
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| InChIKey |
GGUVCADUSFVHLK-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