General Information of the Compound
| Compound ID |
CP0318496
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| Compound Name |
(2E)-2-[[5-(pyridin-3-ylmethoxy)-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C27H26F3NO4
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| Molecular Weight |
485.502
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2cccnc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C27H26F3NO4/c1-2-3-6-21(26(32)33)14-22-15-24(34-18-20-5-4-13-31-16-20)11-12-25(22)35-17-19-7-9-23(10-8-19)27(28,29)30/h4-5,7-16H,2-3,6,17-18H2,1H3,(H,32,33)/b21-14+
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| InChIKey |
YOUIPMNBJFZTSO-KGENOOAVSA-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