General Information of the Compound
| Compound ID |
CP0513714
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| Compound Name |
2-phenethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C25H26N6O6S
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| Molecular Weight |
538.586
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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(NCCc3ccccc3)nc12
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| InChI |
InChI=1S/C25H26N6O6S/c32-12-18-20(33)21(34)24(37-18)30-14-27-19-22(30)28-25(26-11-10-15-4-2-1-3-5-15)29-23(19)38-13-16-6-8-17(9-7-16)31(35)36/h1-9,14,18,20-21,24,32-34H,10-13H2,(H,26,28,29)/t18-,20-,21-,24-/m1/s1
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| InChIKey |
OPPLEYAZRUDHPF-UMCMBGNQSA-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