General Information of the Compound
| Compound ID |
CP0459861
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| Compound Name |
2-benzamido-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
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| Structure |
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| Formula |
C24H22N6O7S
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| Molecular Weight |
538.542
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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(NC(=O)c3ccccc3)nc12
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| InChI |
InChI=1S/C24H22N6O7S/c31-10-16-18(32)19(33)23(37-16)29-12-25-17-20(29)26-24(27-21(34)14-4-2-1-3-5-14)28-22(17)38-11-13-6-8-15(9-7-13)30(35)36/h1-9,12,16,18-19,23,31-33H,10-11H2,(H,26,27,28,34)/t16-,18-,19-,23-/m1/s1
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| InChIKey |
PDBKCJWISNHEJD-DYVMYPEFSA-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