General Information of the Compound
| Compound ID |
CP0522563
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| Compound Name |
7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methoxy-1,3-dimethylpurine-2,6-dione
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| Structure |
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| Formula |
C13H18N4O7
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| Molecular Weight |
342.308
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| Canonical SMILES |
COc1nc2n(C)c(=O)n(C)c(=O)c2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C13H18N4O7/c1-15-9-6(10(21)16(2)13(15)22)17(12(14-9)23-3)11-8(20)7(19)5(4-18)24-11/h5,7-8,11,18-20H,4H2,1-3H3/t5-,7-,8-,11?/m1/s1
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| InChIKey |
BSVUMWYISNZPDL-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