General Information of the Compound
| Compound ID |
CP0439349
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| Compound Name |
4-(2-ethylphenoxy)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C16H12F3NO
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| Molecular Weight |
291.272
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| Canonical SMILES |
CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H12F3NO/c1-2-11-5-3-4-6-15(11)21-13-8-7-12(10-20)14(9-13)16(17,18)19/h3-9H,2H2,1H3
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| InChIKey |
BUQGJALCBYKRRC-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