General Information of the Compound
| Compound ID |
CP0464207
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| Compound Name |
2-cyclopentylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C22H26N6O6S
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| Molecular Weight |
502.553
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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(NC3CCCC3)nc12
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| InChI |
InChI=1S/C22H26N6O6S/c29-9-15-17(30)18(31)21(34-15)27-11-23-16-19(27)25-22(24-13-3-1-2-4-13)26-20(16)35-10-12-5-7-14(8-6-12)28(32)33/h5-8,11,13,15,17-18,21,29-31H,1-4,9-10H2,(H,24,25,26)/t15-,17-,18-,21-/m1/s1
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| InChIKey |
CMNSFGMDKUJYJZ-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