General Information of the Compound
| Compound ID |
CP0944359
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2,6-difluorobenzoic acid
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| Structure |
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| Formula |
C15H8ClF5O3
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| Molecular Weight |
366.669
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| Canonical SMILES |
O=C(O)c1c(F)ccc(COc2ccc(C(F)(F)F)cc2Cl)c1F
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| InChI |
InChI=1S/C15H8ClF5O3/c16-9-5-8(15(19,20)21)2-4-11(9)24-6-7-1-3-10(17)12(13(7)18)14(22)23/h1-5H,6H2,(H,22,23)
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| InChIKey |
GMRQGCSTONHVED-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