General Information of the Compound
| Compound ID |
CP0453705
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| Compound Name |
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-methylcarbamate
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| Structure |
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| Formula |
C12H16N6O5
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| Molecular Weight |
324.297
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| Canonical SMILES |
CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C12H16N6O5/c1-14-12(21)22-2-5-7(19)8(20)11(23-5)18-4-17-6-9(13)15-3-16-10(6)18/h3-5,7-8,11,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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| InChIKey |
HJFULAPSZBQQMV-IOSLPCCCSA-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