General Information of the Compound
| Compound ID |
CP0064281
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-amino-2-(2-cyclohexylethylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H31N5O9P2S
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| Molecular Weight |
567.498
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| Canonical SMILES |
Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C19H31N5O9P2S/c20-16-13-17(23-19(22-16)36-7-6-11-4-2-1-3-5-11)24(9-21-13)18-15(26)14(25)12(33-18)8-32-35(30,31)10-34(27,28)29/h9,11-12,14-15,18,25-26H,1-8,10H2,(H,30,31)(H2,20,22,23)(H2,27,28,29)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
XPXPQQYUCVQSPM-SCFUHWHPSA-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