General Information of the Compound
| Compound ID |
CP0859840
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| Compound Name |
8-chloro-3-(6-methylheptyl)-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C13H19ClN4O2
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| Molecular Weight |
298.774
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| Canonical SMILES |
CC(C)CCCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C13H19ClN4O2/c1-8(2)6-4-3-5-7-18-10-9(15-12(14)16-10)11(19)17-13(18)20/h8H,3-7H2,1-2H3,(H,15,16)(H,17,19,20)
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| InChIKey |
ZNVJRZYGHAXJHF-UHFFFAOYSA-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