General Information of the Compound
| Compound ID |
CP0126697
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| Compound Name |
(2E)-2-[[5-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C34H38F3NO6
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| Molecular Weight |
613.673
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+
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| InChIKey |
FDMWQCMAAAAAIA-SZXQPVLSSA-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