General Information of the Compound
| Compound ID |
CP0511097
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| Compound Name |
1,3-Diallyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1,3-Diallyl-3,7-dihydro-purine-2,6-dione
1.3-Diallylxanthin
1H-Purine-2,6-dione, 3,9-dihydro-1,3-di-2-propen-1-yl-
31542-64-0
BDBM50022725
CHEMBL286785
SCHEMBL516503
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| Structure |
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| Formula |
C11H12N4O2
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| Molecular Weight |
232.243
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| Canonical SMILES |
C=CCn1c2nc[nH]c2c(=O)n(CC=C)c1=O
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| InChI |
InChI=1S/C11H12N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h3-4,7H,1-2,5-6H2,(H,12,13)
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| InChIKey |
NUZFZZOVBJUJQN-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