General Information of the Compound
| Compound ID |
CP0559984
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| Compound Name |
2-cyclohexylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C23H28N6O6S
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| Molecular Weight |
516.58
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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(NC3CCCCC3)nc12
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| InChI |
InChI=1S/C23H28N6O6S/c30-10-16-18(31)19(32)22(35-16)28-12-24-17-20(28)26-23(25-14-4-2-1-3-5-14)27-21(17)36-11-13-6-8-15(9-7-13)29(33)34/h6-9,12,14,16,18-19,22,30-32H,1-5,10-11H2,(H,25,26,27)/t16-,18-,19-,22-/m1/s1
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| InChIKey |
MZWFDXXJNQTYJB-WGQQHEPDSA-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