General Information of the Compound
| Compound ID |
CP0006981
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| Compound Name |
(2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3-trifluoromethyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C27H37F3O3
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| Molecular Weight |
466.584
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| Canonical SMILES |
CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(=C/C(O)=O)/C(F)(F)F
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| InChI |
InChI=1S/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17-
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| InChIKey |
BQLBHCZTEOUMEY-FETGSKBQSA-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