General Information of the Compound
| Compound ID |
CP0521077
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| Compound Name |
3-[4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C22H19ClF3NO3S
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| Molecular Weight |
469.912
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| Canonical SMILES |
Cc1c(C)c(OCc2c(nsc2C(F)(F)F)-c2ccc(Cl)cc2)ccc1CCC(O)=O
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| InChI |
InChI=1S/C22H19ClF3NO3S/c1-12-13(2)18(9-5-14(12)6-10-19(28)29)30-11-17-20(15-3-7-16(23)8-4-15)27-31-21(17)22(24,25)26/h3-5,7-9H,6,10-11H2,1-2H3,(H,28,29)
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| InChIKey |
QIXGQXRXAHGCIT-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