General Information of the Compound
| Compound ID |
CP0550436
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| Compound Name |
3-[4-[[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C22H18F5NO3S
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| Molecular Weight |
471.447
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| Canonical SMILES |
CCc1ccc(cc1)-c1nsc(c1COc1c(F)cc(CCC(O)=O)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C22H18F5NO3S/c1-2-12-3-6-14(7-4-12)19-15(21(32-28-19)22(25,26)27)11-31-20-16(23)9-13(10-17(20)24)5-8-18(29)30/h3-4,6-7,9-10H,2,5,8,11H2,1H3,(H,29,30)
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| InChIKey |
FJPIOINYQQVVHV-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