General Information of the Compound
| Compound ID |
CP0447455
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| Compound Name |
8-[1-[[5-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C26H28F3N7O4
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| Molecular Weight |
559.549
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2cccc(OC(F)(F)F)c2)c1
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| InChI |
InChI=1S/C26H28F3N7O4/c1-3-8-34-23-21(24(38)35(9-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-10-20(37)36(14-16)18-6-5-7-19(11-18)40-26(27,28)29/h5-7,11-12,15-16H,3-4,8-10,13-14H2,1-2H3,(H,31,32)
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| InChIKey |
CLNFCAXZCSTYNE-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