General Information of the Compound
| Compound ID |
CP0530428
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| Compound Name |
2-ethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C19H22N6O6S
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| Molecular Weight |
462.488
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| Canonical SMILES |
CCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C19H22N6O6S/c1-2-20-19-22-16-13(21-9-24(16)18-15(28)14(27)12(7-26)31-18)17(23-19)32-8-10-3-5-11(6-4-10)25(29)30/h3-6,9,12,14-15,18,26-28H,2,7-8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
OWGLKXNQUDJOKH-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