General Information of the Compound
| Compound ID |
CP0512490
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| Compound Name |
[[(2R,3R,4S,5R)-5-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C15H21ClFN5O8P2
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| Molecular Weight |
515.759
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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(nc(Cl)nc12)N1CCCC1
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| InChI |
InChI=1S/C15H21ClFN5O8P2/c16-15-19-12(21-3-1-2-4-21)10-13(20-15)22(6-18-10)14-9(17)11(23)8(30-14)5-29-32(27,28)7-31(24,25)26/h6,8-9,11,14,23H,1-5,7H2,(H,27,28)(H2,24,25,26)/t8-,9+,11-,14-/m1/s1
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| InChIKey |
OLRDSGJKVYZTCT-SZRLZVLASA-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