General Information of the Compound
| Compound ID |
CP0005671
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| Compound Name |
(2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-ethoxy)-phenyl]-5-fluoro-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C25H33F3O3
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| Molecular Weight |
438.53
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| Canonical SMILES |
C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9-
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| InChIKey |
HHVLEXNKNICHEL-CBDUVFOUSA-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: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha