General Information of the Compound
| Compound ID |
CP0962241
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| Compound Name |
methyl 3-((4-chloro-2-(trifluoromethyl)phenoxy)methyl)benzoate
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| Structure |
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| Formula |
C16H12ClF3O3
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| Molecular Weight |
344.716
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| Canonical SMILES |
COC(=O)c1cccc(COc2ccc(Cl)cc2C(F)(F)F)c1
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| InChI |
InChI=1S/C16H12ClF3O3/c1-22-15(21)11-4-2-3-10(7-11)9-23-14-6-5-12(17)8-13(14)16(18,19)20/h2-8H,9H2,1H3
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| InChIKey |
JHHFMOKNIKROPC-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