General Information of the Compound
| Compound ID |
CP0915182
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| Compound Name |
5-((3,5-Bis(trifluoromethyl)phenoxy)methyl)-1H-pyrazol-3(2H)-one
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| Structure |
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| Formula |
C12H8F6N2O2
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| Molecular Weight |
326.196
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| Canonical SMILES |
O=c1cc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH][nH]1
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| InChI |
InChI=1S/C12H8F6N2O2/c13-11(14,15)6-1-7(12(16,17)18)3-9(2-6)22-5-8-4-10(21)20-19-8/h1-4H,5H2,(H2,19,20,21)
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| InChIKey |
UCAUVGXSNXVHHN-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