General Information of the Compound
| Compound ID |
CP0411848
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| Compound Name |
3-[4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluoro-2-methylphenyl]propanoic acid
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| Structure |
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| Formula |
C21H15ClF5NO3S
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| Molecular Weight |
491.865
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| Canonical SMILES |
Cc1c(CCC(O)=O)cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2)c1F
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| InChI |
InChI=1S/C21H15ClF5NO3S/c1-10-12(4-7-16(29)30)8-15(23)19(17(10)24)31-9-14-18(11-2-5-13(22)6-3-11)28-32-20(14)21(25,26)27/h2-3,5-6,8H,4,7,9H2,1H3,(H,29,30)
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| InChIKey |
VJJZBANOLIEKON-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