General Information of the Compound
| Compound ID |
CP0865036
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| Compound Name |
3-(3-buten-1-yl)-8-chloro-3,7-dihydro-1H-purine-2,6-dione
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| Structure |
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| Formula |
C9H9ClN4O2
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| Molecular Weight |
240.65
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| Canonical SMILES |
C=CCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
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| InChI |
InChI=1S/C9H9ClN4O2/c1-2-3-4-14-6-5(11-8(10)12-6)7(15)13-9(14)16/h2H,1,3-4H2,(H,11,12)(H,13,15,16)
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| InChIKey |
BBRQSDQHDAVESH-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