General Information of the Compound
| Compound ID |
CP0446270
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| Compound Name |
3-[3,5-difluoro-4-[[1-(6-methoxypyridin-3-yl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H17F5N2O4
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| Molecular Weight |
456.367
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| Canonical SMILES |
COc1ccc(cn1)-n1ccc(c1COc1c(F)cc(CCC(O)=O)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H17F5N2O4/c1-31-18-4-3-13(10-27-18)28-7-6-14(21(24,25)26)17(28)11-32-20-15(22)8-12(9-16(20)23)2-5-19(29)30/h3-4,6-10H,2,5,11H2,1H3,(H,29,30)
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| InChIKey |
DQTYDKUBXCUMHX-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