General Information of the Compound
| Compound ID |
CP0459821
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| Compound Name |
2-[6-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
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| Structure |
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| Formula |
C21H19NO4S
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| Molecular Weight |
381.453
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| Canonical SMILES |
Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccccc1
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| InChI |
InChI=1S/C21H19NO4S/c1-13-19(27-21(22-13)14-5-3-2-4-6-14)12-25-16-7-8-17-15(9-20(23)24)11-26-18(17)10-16/h2-8,10,15H,9,11-12H2,1H3,(H,23,24)
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| InChIKey |
VSNIXNDNLLSUIY-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