General Information of the Compound
| Compound ID |
CP0393669
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| Compound Name |
3-[5-[[3-[2-(trifluoromethyl)phenyl]phenyl]methoxy]thiophen-2-yl]propanoic acid
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| Structure |
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| Formula |
C21H17F3O3S
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| Molecular Weight |
406.425
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2C(F)(F)F)s1
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| InChI |
InChI=1S/C21H17F3O3S/c22-21(23,24)18-7-2-1-6-17(18)15-5-3-4-14(12-15)13-27-20-11-9-16(28-20)8-10-19(25)26/h1-7,9,11-12H,8,10,13H2,(H,25,26)
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| InChIKey |
ANNJAFXEJJJKMT-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