General Information of the Compound
| Compound ID |
CP0562935
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| Compound Name |
4-[4-[2-chloro-5-(trifluoromethoxy)phenyl]-3-fluorophenoxy]butanoic acid
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| Structure |
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| Formula |
C17H13ClF4O4
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| Molecular Weight |
392.732
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| Canonical SMILES |
OC(=O)CCCOc1ccc(c(F)c1)-c1cc(OC(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C17H13ClF4O4/c18-14-6-4-11(26-17(20,21)22)8-13(14)12-5-3-10(9-15(12)19)25-7-1-2-16(23)24/h3-6,8-9H,1-2,7H2,(H,23,24)
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| InChIKey |
IYUOFKALTXRDAA-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