General Information of the Compound
| Compound ID |
CP0944358
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| Compound Name |
methyl 3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2-fluorobenzoate
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| Structure |
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| Formula |
C16H11ClF4O3
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| Molecular Weight |
362.706
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| Canonical SMILES |
COC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F
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| InChI |
InChI=1S/C16H11ClF4O3/c1-23-15(22)11-4-2-3-9(14(11)18)8-24-13-6-5-10(7-12(13)17)16(19,20)21/h2-7H,8H2,1H3
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| InChIKey |
VGYGRIBPTPVHTH-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