General Information of the Compound
| Compound ID |
CP0069346
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| Compound Name |
(2E)-2-[[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C30H28F6O4
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| Molecular Weight |
566.538
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+
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| InChIKey |
VXHKYFNGENYMQY-OQKWZONESA-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