General Information of the Compound
| Compound ID |
CP0495223
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| Compound Name |
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C9H11N3O6
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| Molecular Weight |
257.202
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| Canonical SMILES |
N[C@@H](Cn1c(=O)ccn(CC(O)=O)c1=O)C(O)=O
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| InChI |
InChI=1S/C9H11N3O6/c10-5(8(16)17)3-12-6(13)1-2-11(9(12)18)4-7(14)15/h1-2,5H,3-4,10H2,(H,14,15)(H,16,17)/t5-/m0/s1
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| InChIKey |
LHILPKNXWWAWKH-YFKPBYRVSA-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