General Information of the Compound
| Compound ID |
CP0421907
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| Compound Name |
2-pentylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C22H28N6O6S
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| Molecular Weight |
504.569
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| Canonical SMILES |
CCCCCNc1nc(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/C22H28N6O6S/c1-2-3-4-9-23-22-25-19-16(24-12-27(19)21-18(31)17(30)15(10-29)34-21)20(26-22)35-11-13-5-7-14(8-6-13)28(32)33/h5-8,12,15,17-18,21,29-31H,2-4,9-11H2,1H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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| InChIKey |
GPAWMJIZPDXBFG-QTQZEZTPSA-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