General Information of the Compound
| Compound ID |
CP0089198
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| Compound Name |
(2E)-2-[[5-[(4-phenylmethoxyphenyl)methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C35H33F3O5
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| Molecular Weight |
590.638
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C35H33F3O5/c1-2-3-9-28(34(39)40)20-29-21-32(18-19-33(29)43-24-26-10-14-30(15-11-26)35(36,37)38)42-23-27-12-16-31(17-13-27)41-22-25-7-5-4-6-8-25/h4-8,10-21H,2-3,9,22-24H2,1H3,(H,39,40)/b28-20+
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| InChIKey |
XSEQLFLIZFLWIS-VFCFBJKWSA-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