General Information of the Compound
| Compound ID |
CP0386426
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| Compound Name |
3-[3-bromo-4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H14BrClF3NO3S
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| Molecular Weight |
520.754
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2)c(Br)c1
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| InChI |
InChI=1S/C20H14BrClF3NO3S/c21-15-9-11(2-8-17(27)28)1-7-16(15)29-10-14-18(12-3-5-13(22)6-4-12)26-30-19(14)20(23,24)25/h1,3-7,9H,2,8,10H2,(H,27,28)
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| InChIKey |
ZPVLUCQOVXXJPI-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