General Information of the Compound
| Compound ID |
CP0406456
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| Compound Name |
(2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-5-isopropyl-biphenyl-3-yl]-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C26H28F2O3
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| Molecular Weight |
426.503
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| Canonical SMILES |
CC(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C26H28F2O3/c1-17(2)21-14-22(19(4)10-8-9-18(3)13-25(29)30)26(31-16-24(27)28)23(15-21)20-11-6-5-7-12-20/h5-15,17,24H,16H2,1-4H3,(H,29,30)/b9-8+,18-13+,19-10-
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| InChIKey |
BAIGWCRSVOZJCQ-SPIHLYAOSA-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