General Information of the Compound
| Compound ID |
CP0868768
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| Compound Name |
ethyl 3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2-fluorobenzoate
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| Structure |
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| Formula |
C17H13ClF4O3
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| Molecular Weight |
376.733
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| Canonical SMILES |
CCOC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F
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| InChI |
InChI=1S/C17H13ClF4O3/c1-2-24-16(23)12-5-3-4-10(15(12)19)9-25-14-7-6-11(8-13(14)18)17(20,21)22/h3-8H,2,9H2,1H3
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| InChIKey |
UCQQVXDXRKWMBT-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