General Information of the Compound
| Compound ID |
CP0579512
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| Compound Name |
6-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C16H15F3N4O3
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| Molecular Weight |
368.315
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cc(=O)[nH]c(=O)[nH]1
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| InChI |
InChI=1S/C16H15F3N4O3/c17-16(18,19)11-4-2-1-3-10(11)8-23-6-5-22(9-14(23)25)12-7-13(24)21-15(26)20-12/h1-4,7H,5-6,8-9H2,(H2,20,21,24,26)
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| InChIKey |
OMYYDVLYUZVSJK-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