General Information of the Compound
| Compound ID |
CP0464208
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| Compound Name |
2-propylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C20H24N6O6S
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| Molecular Weight |
476.515
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| Canonical SMILES |
CCCNc1nc(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/C20H24N6O6S/c1-2-7-21-20-23-17-14(22-10-25(17)19-16(29)15(28)13(8-27)32-19)18(24-20)33-9-11-3-5-12(6-4-11)26(30)31/h3-6,10,13,15-16,19,27-29H,2,7-9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
UFIVZTJVZRBGLE-NVQRDWNXSA-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