General Information of the Compound
| Compound ID |
CP0426398
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| Compound Name |
8-[1-[4-(diethylamino)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C22H31N7O2
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| Molecular Weight |
425.537
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN(CC)CC)c1
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| InChI |
InChI=1S/C22H31N7O2/c1-5-11-28-20-18(21(30)29(12-6-2)22(28)31)24-19(25-20)17-15-23-27(16-17)14-10-9-13-26(7-3)8-4/h15-16H,5-8,11-14H2,1-4H3,(H,24,25)
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| InChIKey |
SGXKKDZOYJQMJY-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