General Information of the Compound
| Compound ID |
CP0508572
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| Compound Name |
1,3-Diallyl-7-methyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1,3-Di(2-propenyl)-7-methylxanthine
1,3-Diallyl-7-methyl-3,7-dihydro-purine-2,6-dione
1,3-diallyl-7-methylxanthine
BDBM50025574
CHEMBL26406
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| Structure |
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| Formula |
C12H14N4O2
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| Molecular Weight |
246.27
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| Canonical SMILES |
Cn1cnc2n(CC=C)c(=O)n(CC=C)c(=O)c12
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| InChI |
InChI=1S/C12H14N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h4-5,8H,1-2,6-7H2,3H3
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| InChIKey |
YAUBCZNTZIWFJS-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
Clinical Information about the Compound