General Information of the Compound
| Compound ID |
CP0541079
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| Compound Name |
[hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C12H20N2O11P2
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| Molecular Weight |
430.243
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| Canonical SMILES |
CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]1n1cc(C)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C12H20N2O11P2/c1-6-3-14(12(17)13-10(6)16)11-9(23-2)8(15)7(25-11)4-24-27(21,22)5-26(18,19)20/h3,7-9,11,15H,4-5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t7-,8-,9-,11-/m1/s1
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| InChIKey |
AYLRDCMVLGWCIO-TURQNECASA-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