General Information of the Compound
| Compound ID |
CP0538493
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| Compound Name |
[[(2R,3R,4S,5R)-5-(2-chloro-6-phenylmethoxypurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C18H20ClFN4O9P2
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| Molecular Weight |
552.776
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(OCc3ccccc3)nc(Cl)nc12
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| InChI |
InChI=1S/C18H20ClFN4O9P2/c19-18-22-15-13(16(23-18)31-6-10-4-2-1-3-5-10)21-8-24(15)17-12(20)14(25)11(33-17)7-32-35(29,30)9-34(26,27)28/h1-5,8,11-12,14,17,25H,6-7,9H2,(H,29,30)(H2,26,27,28)/t11-,12+,14-,17-/m1/s1
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| InChIKey |
REPUJKBYXASKRU-DMVWFOPNSA-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