General Information of the Compound
| Compound ID |
CP0558623
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| Compound Name |
(2S)-2-amino-4-[[(3-cyanophenyl)-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
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| Structure |
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| Formula |
C12H15N2O5P
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| Molecular Weight |
298.235
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| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)C#N)C(O)=O
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| InChI |
InChI=1S/C12H15N2O5P/c13-7-8-2-1-3-9(6-8)12(17)20(18,19)5-4-10(14)11(15)16/h1-3,6,10,12,17H,4-5,14H2,(H,15,16)(H,18,19)/t10-,12?/m0/s1
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| InChIKey |
RGQMXSYDCRBJOE-NUHJPDEHSA-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