General Information of the Compound
| Compound ID |
CP0177524
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| Compound Name |
(2E)-2-[[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C29H32F6O4
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| Molecular Weight |
558.559
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+
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| InChIKey |
YQTNGMRECFIVQS-RCCKNPSSSA-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