General Information of the Compound
| Compound ID |
CP0179834
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| Compound Name |
3-[3,5-difluoro-4-[[1-(4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C22H18F5NO3
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| Molecular Weight |
439.38
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| Canonical SMILES |
Cc1ccc(cc1)-n1ccc(c1COc1c(F)cc(CCC(O)=O)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C22H18F5NO3/c1-13-2-5-15(6-3-13)28-9-8-16(22(25,26)27)19(28)12-31-21-17(23)10-14(11-18(21)24)4-7-20(29)30/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,29,30)
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| InChIKey |
DBHUIMTWFHXCLC-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