General Information of the Compound
| Compound ID |
CP0485141
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| Compound Name |
3-[4-[[1-(4-ethylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C23H20F5NO3
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| Molecular Weight |
453.407
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| Canonical SMILES |
CCc1ccc(cc1)-n1ccc(c1COc1ccc(CCC(O)=O)c(F)c1F)C(F)(F)F
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| InChI |
InChI=1S/C23H20F5NO3/c1-2-14-3-7-16(8-4-14)29-12-11-17(23(26,27)28)18(29)13-32-19-9-5-15(6-10-20(30)31)21(24)22(19)25/h3-5,7-9,11-12H,2,6,10,13H2,1H3,(H,30,31)
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| InChIKey |
IQFKFQORYMNTEX-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