General Information of the Compound
| Compound ID |
CP0405703
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| Compound Name |
2-[(2R,3S,4R,5R)-5-(2,4-dioxo-5-phenylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
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| Structure |
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| Formula |
C16H19N2O8P
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| Molecular Weight |
398.308
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| Canonical SMILES |
O[C@@H]1[C@@H](CCP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(-c2ccccc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C16H19N2O8P/c19-12-11(6-7-27(23,24)25)26-15(13(12)20)18-8-10(14(21)17-16(18)22)9-4-2-1-3-5-9/h1-5,8,11-13,15,19-20H,6-7H2,(H,17,21,22)(H2,23,24,25)/t11-,12-,13-,15-/m1/s1
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| InChIKey |
AUMMVWNWBYWDQT-RGCMKSIDSA-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