General Information of the Compound
| Compound ID |
CP0426399
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| Compound Name |
8-[1-(4-piperidin-1-ylbut-2-ynyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C23H31N7O2
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| Molecular Weight |
437.548
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCCCC2)c1
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| InChI |
InChI=1S/C23H31N7O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)25-20(26-21)18-16-24-28(17-18)15-9-8-14-27-12-6-5-7-13-27/h16-17H,3-7,10-15H2,1-2H3,(H,25,26)
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| InChIKey |
MOYOQMHZGILYOF-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