General Information of the Compound
| Compound ID |
CP0453460
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| Compound Name |
3,7-Dimethyl-1-(2-oxo-propyl)-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C10H12N4O3
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| Molecular Weight |
236.231
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| Canonical SMILES |
CC(=O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
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| InChI |
InChI=1S/C10H12N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5H,4H2,1-3H3
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| InChIKey |
NMMVOJOKARYAHF-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