General Information of the Compound
| Compound ID |
CP0395263
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| Compound Name |
(2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-5-furan-2-yl-3-isopropyl-phenyl]-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C24H26F2O4
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| Molecular Weight |
416.464
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| Canonical SMILES |
CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccco1
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| InChI |
InChI=1S/C24H26F2O4/c1-15(2)19-12-18(21-9-6-10-29-21)13-20(24(19)30-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-
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| InChIKey |
IIGXFBSZCFYBHM-JCBBLABWSA-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