General Information of the Compound
| Compound ID |
CP0116223
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| Compound Name |
(2E)-2-[[5-phenylmethoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C28H27F3O4
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| Molecular Weight |
484.514
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+
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| InChIKey |
FGSHDGNNMTWCFI-CJLVFECKSA-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