General Information of the Compound
| Compound ID |
CP0513712
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| Compound Name |
2-acetamido-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C19H20N6O7S
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| Molecular Weight |
476.471
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| Canonical SMILES |
CC(=O)Nc1nc(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/C19H20N6O7S/c1-9(27)21-19-22-16-13(20-8-24(16)18-15(29)14(28)12(6-26)32-18)17(23-19)33-7-10-2-4-11(5-3-10)25(30)31/h2-5,8,12,14-15,18,26,28-29H,6-7H2,1H3,(H,21,22,23,27)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
IVUWPLYIYUCASG-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