General Information of the Compound
| Compound ID |
CP0471490
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| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-(ethylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C13H19ClFN5O8P2
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| Molecular Weight |
489.721
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| Canonical SMILES |
CCNc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F
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| InChI |
InChI=1S/C13H19ClFN5O8P2/c1-2-16-10-8-11(19-13(14)18-10)20(4-17-8)12-7(15)9(21)6(28-12)3-27-30(25,26)5-29(22,23)24/h4,6-7,9,12,21H,2-3,5H2,1H3,(H,25,26)(H,16,18,19)(H2,22,23,24)/t6-,7+,9-,12-/m1/s1
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| InChIKey |
GKJSHSNXECPIRO-MCOZSMFQSA-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