General Information of the Compound
| Compound ID |
CP0847442
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| Compound Name |
2,2-Dimethyl-4-[(E)-2-(4-trifluoromethylphenyl)ethenyl]phenoxypentanoic acid
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| Structure |
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| Formula |
C22H23F3O3
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| Molecular Weight |
392.417
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| Canonical SMILES |
CC(C)(CCCOc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1)C(=O)O
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| InChI |
InChI=1S/C22H23F3O3/c1-21(2,20(26)27)14-3-15-28-19-12-8-17(9-13-19)5-4-16-6-10-18(11-7-16)22(23,24)25/h4-13H,3,14-15H2,1-2H3,(H,26,27)/b5-4+
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| InChIKey |
WZHUYVZQDIFSTL-SNAWJCMRSA-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