General Information of the Compound
| Compound ID |
CP0309859
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| Compound Name |
(2E)-2-[[5-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C27H25F3O3
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| Molecular Weight |
454.488
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| Canonical SMILES |
CCCC\C(=C/c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C27H25F3O3/c1-2-3-7-22(26(31)32)17-23-16-21(20-8-5-4-6-9-20)12-15-25(23)33-18-19-10-13-24(14-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b22-17+
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| InChIKey |
PBIVKAAJQBKJKW-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