General Information of the Compound
| Compound ID |
CP0574641
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| Compound Name |
4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H15F3N4O2
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| Molecular Weight |
352.316
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1
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| InChI |
InChI=1S/C16H15F3N4O2/c17-16(18,19)13-4-2-1-3-11(13)9-23-6-5-22(10-15(23)25)12-7-14(24)21-20-8-12/h1-4,7-8H,5-6,9-10H2,(H,21,24)
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| InChIKey |
LKVUNZYBZCVWAG-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