General Information of the Compound
| Compound ID |
CP0477340
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| Compound Name |
2-[2-methyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methoxy]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H16N2O4S
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| Molecular Weight |
356.403
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| Canonical SMILES |
Cc1cc(OCc2nnc(s2)-c2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C18H16N2O4S/c1-12-9-14(7-8-15(12)24-11-17(21)22)23-10-16-19-20-18(25-16)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,21,22)
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| InChIKey |
VATATRKOMDMNKZ-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