General Information of the Compound
| Compound ID |
CP0558473
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| Compound Name |
3-[4-[[1-(4-ethylphenyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C24H27NO3
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| Molecular Weight |
377.484
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| Canonical SMILES |
CCc1ccc(cc1)-n1cccc1COc1ccc(CCC(O)=O)c(C)c1C
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| InChI |
InChI=1S/C24H27NO3/c1-4-19-7-11-21(12-8-19)25-15-5-6-22(25)16-28-23-13-9-20(10-14-24(26)27)17(2)18(23)3/h5-9,11-13,15H,4,10,14,16H2,1-3H3,(H,26,27)
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| InChIKey |
MIFGUTPPBHDEIL-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