General Information of the Compound
| Compound ID |
CP0510749
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| Compound Name |
(Z)-3-(4-tert-butylphenyl)-2-(4-(trifluoromethyl)phenyl)acrylonitrile
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| Structure |
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| Formula |
C20H18F3N
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| Molecular Weight |
329.365
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| Canonical SMILES |
CC(C)(C)c1ccc(\C=C(/C#N)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C20H18F3N/c1-19(2,3)17-8-4-14(5-9-17)12-16(13-24)15-6-10-18(11-7-15)20(21,22)23/h4-12H,1-3H3/b16-12+
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| InChIKey |
YYTBACZQUDIKTH-FOWTUZBSSA-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