General Information of the Compound
| Compound ID |
CP0488407
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| Compound Name |
1-(6-chloropyridin-3-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
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| Structure |
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| Formula |
C14H9ClF3NO2
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| Molecular Weight |
315.678
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| Canonical SMILES |
FC(F)(F)c1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C14H9ClF3NO2/c15-13-6-1-9(7-19-13)12(20)8-21-11-4-2-10(3-5-11)14(16,17)18/h1-7H,8H2
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| InChIKey |
QBPZYDZCMILWTJ-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