General Information of the Compound
| Compound ID |
CP0943457
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| Compound Name |
3-((2-chloro-4-(trifluoromethoxy)phenoxy)methyl)-5-fluorobenzoic acid
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| Structure |
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| Formula |
C15H9ClF4O4
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| Molecular Weight |
364.678
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| Canonical SMILES |
O=C(O)c1cc(F)cc(COc2ccc(OC(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C15H9ClF4O4/c16-12-6-11(24-15(18,19)20)1-2-13(12)23-7-8-3-9(14(21)22)5-10(17)4-8/h1-6H,7H2,(H,21,22)
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| InChIKey |
GQIPPSPHKRUGFH-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