General Information of the Compound
| Compound ID |
CP0439353
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| Compound Name |
4-(2-ethoxy-4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C17H14F3NO2
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| Molecular Weight |
321.298
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| Canonical SMILES |
CCOc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3NO2/c1-3-22-16-8-11(2)4-7-15(16)23-13-6-5-12(10-21)14(9-13)17(18,19)20/h4-9H,3H2,1-2H3
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| InChIKey |
RCVUQHFHSBQKIS-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