General Information of the Compound
Compound ID |
CP0403927
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Compound Name |
(2E,4E,6Z)-7-(2-Butoxy-3-isopropyl-5-pentafluoroethyl-phenyl)-3-methyl-octa-2,4,6-trienoic acid
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Structure |
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Formula |
C24H29F5O3
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Molecular Weight |
460.483
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Canonical SMILES |
CCCCOc1c(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/C24H29F5O3/c1-6-7-11-32-22-19(15(2)3)13-18(23(25,26)24(27,28)29)14-20(22)17(5)10-8-9-16(4)12-21(30)31/h8-10,12-15H,6-7,11H2,1-5H3,(H,30,31)/b9-8+,16-12+,17-10-
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InChIKey |
UXAOHICPAFHSTJ-HYFQCHPWSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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