General Information of the Compound
| Compound ID |
CP0565113
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C14H19ClN5O7P
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| Molecular Weight |
435.761
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
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| InChI |
InChI=1S/C14H19ClN5O7P/c15-14-18-11(17-6-1-2-6)8-12(19-14)20(4-16-8)13-10(22)9(21)7(27-13)3-26-5-28(23,24)25/h4,6-7,9-10,13,21-22H,1-3,5H2,(H,17,18,19)(H2,23,24,25)/t7-,9-,10-,13-/m1/s1
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| InChIKey |
PQLXJJYCMDHNBD-QYVSTXNMSA-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