General Information of the Compound
| Compound ID |
CP0406626
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| Compound Name |
8-[4-[[5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C29H30F3N5O4
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| Molecular Weight |
569.584
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H30F3N5O4/c1-3-13-35-26-24(27(39)36(14-4-2)28(35)40)33-25(34-26)19-5-11-22(12-6-19)41-17-18-15-23(38)37(16-18)21-9-7-20(8-10-21)29(30,31)32/h5-12,18H,3-4,13-17H2,1-2H3,(H,33,34)
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| InChIKey |
OSKJTFJJWDIDPH-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