General Information of the Compound
| Compound ID |
CP0530426
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| Compound Name |
2-cyclopropylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C20H22N6O6S
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| Molecular Weight |
474.499
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NC3CC3)nc12
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| InChI |
InChI=1S/C20H22N6O6S/c27-7-13-15(28)16(29)19(32-13)25-9-21-14-17(25)23-20(22-11-3-4-11)24-18(14)33-8-10-1-5-12(6-2-10)26(30)31/h1-2,5-6,9,11,13,15-16,19,27-29H,3-4,7-8H2,(H,22,23,24)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
XBEFFTIKLMJXIZ-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