General Information of the Compound
| Compound ID |
CP0553089
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-methoxypurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C19H25N5O10P2
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| Molecular Weight |
545.382
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| Canonical SMILES |
COc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C19H25N5O10P2/c1-32-19-22-16(20-7-11-5-3-2-4-6-11)13-17(23-19)24(9-21-13)18-15(26)14(25)12(34-18)8-33-36(30,31)10-35(27,28)29/h2-6,9,12,14-15,18,25-26H,7-8,10H2,1H3,(H,30,31)(H,20,22,23)(H2,27,28,29)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
GJYSLUTYHOOOSE-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