General Information of the Compound
| Compound ID |
CP0487985
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| Compound Name |
2-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]ethylphosphonic acid
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| Structure |
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| Formula |
C11H18N2O11P2
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| Molecular Weight |
416.216
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CCP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C11H18N2O11P2/c14-7-1-2-13(11(17)12-7)10-9(16)8(15)6(24-10)5-23-26(21,22)4-3-25(18,19)20/h1-2,6,8-10,15-16H,3-5H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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| InChIKey |
WCVSWDIGMLXOEO-PEBGCTIMSA-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