General Information of the Compound
| Compound ID |
CP0384182
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| Compound Name |
(2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-3',5'-difluoro-5-isopropyl-biphenyl-3-yl]-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C26H26F4O3
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| Molecular Weight |
462.483
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| Canonical SMILES |
CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C26H26F4O3/c1-15(2)22-11-19(18-9-20(27)13-21(28)10-18)12-23(26(22)33-14-24(29)30)17(4)7-5-6-16(3)8-25(31)32/h5-13,15,24H,14H2,1-4H3,(H,31,32)/b6-5+,16-8+,17-7-
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| InChIKey |
WPVHQRRTUJTHOM-HSQINHPTSA-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