General Information of the Compound
| Compound ID |
CP0462667
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| Compound Name |
8-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C25H27F2N7O3
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| Molecular Weight |
511.533
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(F)cc2F)c1
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| InChI |
InChI=1S/C25H27F2N7O3/c1-3-7-32-23-21(24(36)33(8-4-2)25(32)37)29-22(30-23)16-11-28-31(14-16)12-15-9-20(35)34(13-15)19-6-5-17(26)10-18(19)27/h5-6,10-11,14-15H,3-4,7-9,12-13H2,1-2H3,(H,29,30)
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| InChIKey |
IKRWEWWDBCHRPY-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