General Information of the Compound
| Compound ID |
CP0552524
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| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C12H17ClFN5O8P2
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| Molecular Weight |
475.694
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| Canonical SMILES |
CNc1nc(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/C12H17ClFN5O8P2/c1-15-9-7-10(18-12(13)17-9)19(3-16-7)11-6(14)8(20)5(27-11)2-26-29(24,25)4-28(21,22)23/h3,5-6,8,11,20H,2,4H2,1H3,(H,24,25)(H,15,17,18)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1
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| InChIKey |
ACZLSQSBDOPRBQ-WCGPTHBMSA-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