General Information of the Compound
| Compound ID |
CP0248018
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| Compound Name |
(2E)-2-[[5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]hexanoic acid
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| Structure |
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| Formula |
C30H25F9O4
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| Molecular Weight |
620.508
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| Canonical SMILES |
CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+
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| InChIKey |
JJTWGKMJWUIUPQ-DEDYPNTBSA-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