General Information of the Compound
| Compound ID |
CP0551919
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| Compound Name |
2,2-dideuterio-3-[4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H18FNO3S
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| Molecular Weight |
373.4452036
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| Canonical SMILES |
[2H]C([2H])(Cc1ccc(OCc2sc(nc2C)-c2ccc(F)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C20H18FNO3S/c1-13-18(26-20(22-13)15-5-7-16(21)8-6-15)12-25-17-9-2-14(3-10-17)4-11-19(23)24/h2-3,5-10H,4,11-12H2,1H3,(H,23,24)/i11D2
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| InChIKey |
XEWIPFRGNCBHPD-ZWGOZCLVSA-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