General Information of the Compound
| Compound ID |
CP0969019
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2-ethylbenzoic acid
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| Structure |
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| Formula |
C17H14ClF3O3
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| Molecular Weight |
358.743
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| Canonical SMILES |
CCc1c(COc2ccc(C(F)(F)F)cc2Cl)cccc1C(=O)O
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| InChI |
InChI=1S/C17H14ClF3O3/c1-2-12-10(4-3-5-13(12)16(22)23)9-24-15-7-6-11(8-14(15)18)17(19,20)21/h3-8H,2,9H2,1H3,(H,22,23)
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| InChIKey |
IFJOEELDHHWCIY-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