General Information of the Compound
| Compound ID |
CP0560718
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| Compound Name |
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
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| Structure |
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| Formula |
C10H16N4O2
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| Molecular Weight |
224.264
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| Canonical SMILES |
CC(C)CN1C2N=CNC2C(=O)N(C)C1=O
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| InChI |
InChI=1S/C10H16N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-8H,4H2,1-3H3,(H,11,12)
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| InChIKey |
IAPHEWNBGVEBEH-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A