General Information of the Compound
| Compound ID |
CP0421421
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-ethylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C20H27N5O9P2
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| Molecular Weight |
543.41
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| Canonical SMILES |
CCc1nc(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/C20H27N5O9P2/c1-2-14-23-18(21-8-12-6-4-3-5-7-12)15-19(24-14)25(10-22-15)20-17(27)16(26)13(34-20)9-33-36(31,32)11-35(28,29)30/h3-7,10,13,16-17,20,26-27H,2,8-9,11H2,1H3,(H,31,32)(H,21,23,24)(H2,28,29,30)/t13-,16-,17-,20-/m1/s1
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| InChIKey |
OEQQDLAMOXOEFI-AEVYOOLXSA-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