General Information of the Compound
| Compound ID |
CP0085146
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| Compound Name |
3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C10H10N4O2
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| Molecular Weight |
218.216
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| Canonical SMILES |
Cn1cnc2n(C)c(=O)n(CC#C)c(=O)c12
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| InChI |
InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
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| InChIKey |
IORPOFJLSIHJOG-UHFFFAOYSA-N
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| CAS |
14114-46-6
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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