General Information of the Compound
| Compound ID |
CP0521076
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| Compound Name |
3-[4-[[3-(4-cyanophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C21H13F5N2O3S
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| Molecular Weight |
468.403
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| Canonical SMILES |
OC(=O)CCc1cc(F)c(OCc2c(nsc2C(F)(F)F)-c2ccc(cc2)C#N)c(F)c1
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| InChI |
InChI=1S/C21H13F5N2O3S/c22-15-7-12(3-6-17(29)30)8-16(23)19(15)31-10-14-18(28-32-20(14)21(24,25)26)13-4-1-11(9-27)2-5-13/h1-2,4-5,7-8H,3,6,10H2,(H,29,30)
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| InChIKey |
HNYQVJLQRVUHLH-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