General Information of the Compound
| Compound ID |
CP0085978
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| Compound Name |
4-[4-[2-chloro-5-(trifluoromethoxy)phenyl]-2,6-dimethylphenoxy]butanoic acid
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| Structure |
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| Formula |
C19H18ClF3O4
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| Molecular Weight |
402.796
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| Canonical SMILES |
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C19H18ClF3O4/c1-11-8-13(9-12(2)18(11)26-7-3-4-17(24)25)15-10-14(5-6-16(15)20)27-19(21,22)23/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,25)
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| InChIKey |
KRJOUGOTSWPYDG-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