General Information of the Compound
| Compound ID |
CP0521486
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| Compound Name |
1-[5-hydroxy-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazol-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C19H14F6N2O2
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| Molecular Weight |
416.321
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| Canonical SMILES |
OC1(CC(=NN1C(=O)Cc1ccccc1)C(F)(F)F)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C19H14F6N2O2/c20-18(21,22)14-9-5-4-8-13(14)17(29)11-15(19(23,24)25)26-27(17)16(28)10-12-6-2-1-3-7-12/h1-9,29H,10-11H2
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| InChIKey |
WXZXLOQJOWYYDG-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