General Information of the Compound
| Compound ID |
CP0958964
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| Compound Name |
5-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)biphenyl-3-carboxylic acid
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| Structure |
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| Formula |
C21H14ClF3O3
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| Molecular Weight |
406.787
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| Canonical SMILES |
O=C(O)c1cc(COc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)c1
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| InChI |
InChI=1S/C21H14ClF3O3/c22-18-11-17(21(23,24)25)6-7-19(18)28-12-13-8-15(10-16(9-13)20(26)27)14-4-2-1-3-5-14/h1-11H,12H2,(H,26,27)
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| InChIKey |
WYSUPNWATDOQCJ-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