General Information of the Compound
| Compound ID |
CP0546996
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| Compound Name |
3-[3,5-difluoro-4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C22H17F6NO3
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| Molecular Weight |
457.37
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| Canonical SMILES |
CC(Cc1cc(F)c(OCc2c(ccn2-c2ccc(F)cc2)C(F)(F)F)c(F)c1)C(O)=O
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| InChI |
InChI=1S/C22H17F6NO3/c1-12(21(30)31)8-13-9-17(24)20(18(25)10-13)32-11-19-16(22(26,27)28)6-7-29(19)15-4-2-14(23)3-5-15/h2-7,9-10,12H,8,11H2,1H3,(H,30,31)
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| InChIKey |
IYJWERFNKVAOSC-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