General Information of the Compound
| Compound ID |
CP0153986
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| Compound Name |
4-[4-[2-chloro-5-(trifluoromethoxy)phenyl]-3-methylphenoxy]butanoic acid
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| Structure |
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| Formula |
C18H16ClF3O4
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| Molecular Weight |
388.769
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| Canonical SMILES |
Cc1cc(OCCCC(O)=O)ccc1-c1cc(OC(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C18H16ClF3O4/c1-11-9-12(25-8-2-3-17(23)24)4-6-14(11)15-10-13(5-7-16(15)19)26-18(20,21)22/h4-7,9-10H,2-3,8H2,1H3,(H,23,24)
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| InChIKey |
IXCGAOKQTBZAKH-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
Protein ID: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4