General Information of the Compound
| Compound ID |
CP0536857
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| Compound Name |
2-[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]sulfonylacetic acid
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| Structure |
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| Formula |
C19H17NO5S2
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| Molecular Weight |
403.481
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)S(=O)(=O)CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C19H17NO5S2/c1-13-17(26-19(20-13)14-5-3-2-4-6-14)11-25-15-7-9-16(10-8-15)27(23,24)12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
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| InChIKey |
DBKGUYHWHYTMGG-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