General Information of the Compound
| Compound ID |
CP0579992
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| Compound Name |
1-methyl-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 |
C17H17F3N4O3
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| Molecular Weight |
382.342
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| Canonical SMILES |
Cn1c(cc(=O)[nH]c1=O)N1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1
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| InChI |
InChI=1S/C17H17F3N4O3/c1-22-14(8-13(25)21-16(22)27)23-6-7-24(15(26)10-23)9-11-4-2-3-5-12(11)17(18,19)20/h2-5,8H,6-7,9-10H2,1H3,(H,21,25,27)
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| InChIKey |
HMYBCZIMVAMARM-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