General Information of the Compound
| Compound ID |
CP0376446
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| Compound Name |
1,3-dibutyl-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-dione
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| Structure |
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| Formula |
C18H28N4O6
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| Molecular Weight |
396.444
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| Canonical SMILES |
CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(CCCC)c1=O
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| InChI |
InChI=1S/C18H28N4O6/c1-3-5-7-20-15-12(16(26)21(18(20)27)8-6-4-2)22(10-19-15)17-14(25)13(24)11(9-23)28-17/h10-11,13-14,17,23-25H,3-9H2,1-2H3/t11-,13-,14-,17?/m1/s1
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| InChIKey |
WBRDCDOOPKSAOQ-IKYDMHQPSA-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