General Information of the Compound
| Compound ID |
CP0541682
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| Compound Name |
(3S)-3-ethoxy-3-[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H18F4O4
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| Molecular Weight |
386.341
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(OCc2ccc(cc2F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H18F4O4/c1-2-26-17(10-18(24)25)12-4-7-15(8-5-12)27-11-13-3-6-14(9-16(13)20)19(21,22)23/h3-9,17H,2,10-11H2,1H3,(H,24,25)/t17-/m0/s1
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| InChIKey |
HIPATDJOXWETKE-KRWDZBQOSA-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