General Information of the Compound
| Compound ID |
CP0468911
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| Compound Name |
2-[2-fluoro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H13FN2O4S
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| Molecular Weight |
360.366
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| Canonical SMILES |
OC(=O)COc1ccc(OCc2nnc(s2)-c2ccccc2)cc1F
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| InChI |
InChI=1S/C17H13FN2O4S/c18-13-8-12(6-7-14(13)24-10-16(21)22)23-9-15-19-20-17(25-15)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)
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| InChIKey |
IVAWXSZFQJYQKL-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: PT02793, Free fatty acid receptor 1
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta