General Information of the Compound
| Compound ID |
CP0394545
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| Compound Name |
(2E,4E,6Z)-7-(2-Ethoxy-3-isopropyl-5-pentafluoroethyl-phenyl)-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C22H25F5O3
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| Molecular Weight |
432.429
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| Canonical SMILES |
CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
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| InChI |
InChI=1S/C22H25F5O3/c1-6-30-20-17(13(2)3)11-16(21(23,24)22(25,26)27)12-18(20)15(5)9-7-8-14(4)10-19(28)29/h7-13H,6H2,1-5H3,(H,28,29)/b8-7+,14-10+,15-9-
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| InChIKey |
IXJIVOFEKLAPRC-GNFXPBCZSA-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma