General Information of the Compound
| Compound ID |
CP0421911
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| Compound Name |
2-butylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C21H26N6O6S
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| Molecular Weight |
490.542
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| Canonical SMILES |
CCCCNc1nc(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/C21H26N6O6S/c1-2-3-8-22-21-24-18-15(23-11-26(18)20-17(30)16(29)14(9-28)33-20)19(25-21)34-10-12-4-6-13(7-5-12)27(31)32/h4-7,11,14,16-17,20,28-30H,2-3,8-10H2,1H3,(H,22,24,25)/t14-,16-,17-,20-/m1/s1
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| InChIKey |
APGUBFBFIZVHIG-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