General Information of the Compound
| Compound ID |
CP0460439
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| Compound Name |
2-{4-Methoxy-3-[3-(4-trifluoromethyl-phenyl)-propyl]-benzyl}-butyric acid
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| Structure |
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| Formula |
C22H25F3O3
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| Molecular Weight |
394.433
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| Canonical SMILES |
CCC(Cc1ccc(OC)c(CCCc2ccc(cc2)C(F)(F)F)c1)C(O)=O
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| InChI |
InChI=1S/C22H25F3O3/c1-3-17(21(26)27)13-16-9-12-20(28-2)18(14-16)6-4-5-15-7-10-19(11-8-15)22(23,24)25/h7-12,14,17H,3-6,13H2,1-2H3,(H,26,27)
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| InChIKey |
TYVNBJSZYWXLCK-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