General Information of the Compound
| Compound ID |
CP0536758
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| Compound Name |
[[(2R,3S,4R,5R)-5-(3-benzyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C17H22N2O11P2
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| Molecular Weight |
492.314
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ccc(=O)n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C17H22N2O11P2/c20-13-6-7-18(17(23)19(13)8-11-4-2-1-3-5-11)16-15(22)14(21)12(30-16)9-29-32(27,28)10-31(24,25)26/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
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| InChIKey |
QETXFSRFIKPTQR-DTZQCDIJSA-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