General Information of the Compound
| Compound ID |
CP0126725
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| Compound Name |
(2E)-2-[[5-phenoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C27H25F3O4
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| Molecular Weight |
470.487
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| Canonical SMILES |
CCCC\C(=C/c1cc(Oc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C27H25F3O4/c1-2-3-7-20(26(31)32)16-21-17-24(34-23-8-5-4-6-9-23)14-15-25(21)33-18-19-10-12-22(13-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b20-16+
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| InChIKey |
AJNMKFBCNJHDHG-CAPFRKAQSA-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
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT06014, Presenilin-1