General Information of the Compound
| Compound ID |
CP0507061
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| Compound Name |
(2S)-2-amino-4-[hydroxy-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phosphoryl]butanoic acid
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| Structure |
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| Formula |
C12H16N3O5P
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| Molecular Weight |
313.25
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1c[nH]c2ncccc12)C(O)=O
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| InChI |
InChI=1S/C12H16N3O5P/c13-9(11(16)17)3-5-21(19,20)12(18)8-6-15-10-7(8)2-1-4-14-10/h1-2,4,6,9,12,18H,3,5,13H2,(H,14,15)(H,16,17)(H,19,20)/t9-,12?/m0/s1
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| InChIKey |
KUURPSPCGMMTRS-QHGLUPRGSA-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