General Information of the Compound
| Compound ID |
CP0432674
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| Compound Name |
3-[4-[[5-ethyl-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C25H29NO3S
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| Molecular Weight |
423.578
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| Canonical SMILES |
CCc1snc(c1COc1ccc(CCC(O)=O)c(C)c1C)-c1ccc(CC)cc1
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| InChI |
InChI=1S/C25H29NO3S/c1-5-18-7-9-20(10-8-18)25-21(23(6-2)30-26-25)15-29-22-13-11-19(12-14-24(27)28)16(3)17(22)4/h7-11,13H,5-6,12,14-15H2,1-4H3,(H,27,28)
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| InChIKey |
ZGQGKHWHGMQQJZ-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