General Information of the Compound
| Compound ID |
CP0420047
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(3-ethoxy-4-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C25H28N6O5
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| Molecular Weight |
492.536
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| Canonical SMILES |
CCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
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| InChI |
InChI=1S/C25H28N6O5/c1-2-35-17-10-14(8-9-16(17)15-6-4-3-5-7-15)11-27-25-30-19-22(26)28-13-29-23(19)31(25)24-21(34)20(33)18(12-32)36-24/h3-10,13,18,20-21,24,32-34H,2,11-12H2,1H3,(H,27,30)(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
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| InChIKey |
VZKDFUYTJCVISC-UMCMBGNQSA-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