General Information of the Compound
| Compound ID |
CP0546708
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| Compound Name |
3-[4-[[5-(4-ethylphenyl)-1,2-thiazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C23H25NO3S
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| Molecular Weight |
395.524
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| Canonical SMILES |
CCc1ccc(cc1)-c1sncc1COc1ccc(CCC(O)=O)c(C)c1C
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| InChI |
InChI=1S/C23H25NO3S/c1-4-17-5-7-19(8-6-17)23-20(13-24-28-23)14-27-21-11-9-18(10-12-22(25)26)15(2)16(21)3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,25,26)
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| InChIKey |
QRUYZHNFSLHUNL-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