General Information of the Compound
| Compound ID |
CP0421909
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| Compound Name |
2-cyclobutylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C21H24N6O6S
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| Molecular Weight |
488.526
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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(NC3CCC3)nc12
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| InChI |
InChI=1S/C21H24N6O6S/c28-8-14-16(29)17(30)20(33-14)26-10-22-15-18(26)24-21(23-12-2-1-3-12)25-19(15)34-9-11-4-6-13(7-5-11)27(31)32/h4-7,10,12,14,16-17,20,28-30H,1-3,8-9H2,(H,23,24,25)/t14-,16-,17-,20-/m1/s1
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| InChIKey |
TWAJJOPOBIGCAK-WVSUBDOOSA-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