General Information of the Compound
| Compound ID |
CP0467015
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| Compound Name |
8-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
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| Structure |
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| Formula |
C17H24N6O2
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| Molecular Weight |
344.419
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(C)nn1CC
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| InChI |
InChI=1S/C17H24N6O2/c1-5-8-21-15-13(16(24)22(9-6-2)17(21)25)18-14(19-15)12-10-11(4)20-23(12)7-3/h10H,5-9H2,1-4H3,(H,18,19)
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| InChIKey |
XMBZQKGOUSKEJS-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