General Information of the Compound
| Compound ID |
CP0432670
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| Compound Name |
3-[4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C21H14ClF6NO3S
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| Molecular Weight |
509.855
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H14ClF6NO3S/c22-13-5-1-12(2-6-13)18-15(19(33-29-18)21(26,27)28)10-32-14-7-3-11(4-8-17(30)31)16(9-14)20(23,24)25/h1-3,5-7,9H,4,8,10H2,(H,30,31)
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| InChIKey |
MHLVHXTTZZBORB-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