General Information of the Compound
| Compound ID |
CP0548116
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| Compound Name |
[[(2R,3S,4R,5R)-5-(3-ethyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]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 |
CCn1c(=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/C12H20N2O11P2/c1-2-13-8(15)3-4-14(12(13)18)11-10(17)9(16)7(25-11)5-24-27(22,23)6-26(19,20)21/h3-4,7,9-11,16-17H,2,5-6H2,1H3,(H,22,23)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1
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| InChIKey |
VKTRWDRNEMQJTJ-QCNRFFRDSA-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