General Information of the Compound
| Compound ID |
CP0421422
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| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C14H19ClFN5O8P2
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| Molecular Weight |
501.732
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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(NC3CC3)nc(Cl)nc12
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| InChI |
InChI=1S/C14H19ClFN5O8P2/c15-14-19-11(18-6-1-2-6)9-12(20-14)21(4-17-9)13-8(16)10(22)7(29-13)3-28-31(26,27)5-30(23,24)25/h4,6-8,10,13,22H,1-3,5H2,(H,26,27)(H,18,19,20)(H2,23,24,25)/t7-,8+,10-,13-/m1/s1
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| InChIKey |
LTYJQMKJSPUVOZ-DHWQRIIYSA-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