General Information of the Compound
| Compound ID |
CP0432673
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| Compound Name |
3-[3,5-difluoro-4-[[3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H13F8NO4S
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| Molecular Weight |
527.389
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| Canonical SMILES |
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(OC(F)(F)F)cc2)c(F)c1
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| InChI |
InChI=1S/C21H13F8NO4S/c22-14-7-10(1-6-16(31)32)8-15(23)18(14)33-9-13-17(30-35-19(13)20(24,25)26)11-2-4-12(5-3-11)34-21(27,28)29/h2-5,7-8H,1,6,9H2,(H,31,32)
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| InChIKey |
WNZUTZZRYWFOLP-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