General Information of the Compound
| Compound ID |
CP0392568
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| Compound Name |
7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethylpurine-2,6-dione
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| Structure |
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| Formula |
C12H16N4O6
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| Molecular Weight |
312.282
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| Canonical SMILES |
Cn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C12H16N4O6/c1-14-9-6(10(20)15(2)12(14)21)16(4-13-9)11-8(19)7(18)5(3-17)22-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7-,8-,11?/m1/s1
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| InChIKey |
QVJYWLRRZPETNA-YNJARDAQSA-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