General Information of the Compound
| Compound ID |
CP0416660
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic 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 |
Cn1c(=O)ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c1=O
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| InChI |
InChI=1S/C11H18N2O11P2/c1-12-7(14)2-3-13(11(12)17)10-9(16)8(15)6(24-10)4-23-26(21,22)5-25(18,19)20/h2-3,6,8-10,15-16H,4-5H2,1H3,(H,21,22)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
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| InChIKey |
LIDPDKNJUKNKPQ-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