General Information of the Compound
| Compound ID |
CP0552520
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| Compound Name |
[[(2R,3R,4S,5R)-5-[6-(cyclopentylamino)-2-(methoxymethyl)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C18H28FN5O9P2
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| Molecular Weight |
539.394
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| Canonical SMILES |
COCc1nc(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/C18H28FN5O9P2/c1-31-7-12-22-16(21-10-4-2-3-5-10)14-17(23-12)24(8-20-14)18-13(19)15(25)11(33-18)6-32-35(29,30)9-34(26,27)28/h8,10-11,13,15,18,25H,2-7,9H2,1H3,(H,29,30)(H,21,22,23)(H2,26,27,28)/t11-,13+,15-,18-/m1/s1
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| InChIKey |
JZSOUTZBZMGJCQ-VPSJLMRDSA-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