General Information of the Compound
| Compound ID |
CP0580085
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| Compound Name |
1,3-dimethyl-6-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H19F3N4O3
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| Molecular Weight |
396.369
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1
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| InChI |
InChI=1S/C18H19F3N4O3/c1-22-14(9-15(26)23(2)17(22)28)24-7-8-25(16(27)11-24)10-12-5-3-4-6-13(12)18(19,20)21/h3-6,9H,7-8,10-11H2,1-2H3
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| InChIKey |
KJNKNNGKDVOKKK-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