General Information of the Compound
| Compound ID |
CP0462152
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| Compound Name |
2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid
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| Structure |
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| Formula |
C15H10ClF3O3
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| Molecular Weight |
330.689
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| Canonical SMILES |
OC(=O)C(Oc1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)
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| InChIKey |
DDTQLPXXNHLBAB-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