General Information of the Compound
| Compound ID |
CP0566248
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(cyclopentylamino)-2-[cyclopropyl(hydroxy)methyl]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C20H30FN5O9P2
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| Molecular Weight |
565.432
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| Canonical SMILES |
OC(C1CC1)c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]3F)c2n1
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| InChI |
InChI=1S/C20H30FN5O9P2/c21-13-16(28)12(7-34-37(32,33)9-36(29,30)31)35-20(13)26-8-22-14-17(23-11-3-1-2-4-11)24-18(25-19(14)26)15(27)10-5-6-10/h8,10-13,15-16,20,27-28H,1-7,9H2,(H,32,33)(H,23,24,25)(H2,29,30,31)/t12-,13+,15?,16-,20-/m1/s1
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| InChIKey |
NPFGAXBAYRANDO-DVIROCFPSA-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