General Information of the Compound
| Compound ID |
CP0409872
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| Compound Name |
2-{4-Methoxy-3-[2-(4-trifluoromethyl-phenyl)-ethoxy]-benzyl}-butyric acid
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| Structure |
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| Formula |
C21H23F3O4
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| Molecular Weight |
396.405
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(OCCc2ccc(cc2)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C21H23F3O4/c1-3-16(20(25)26)12-15-6-9-18(27-2)19(13-15)28-11-10-14-4-7-17(8-5-14)21(22,23)24/h4-9,13,16H,3,10-12H2,1-2H3,(H,25,26)
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| InChIKey |
XRWICJKJHIYETJ-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