General Information of the Compound
| Compound ID |
CP0395224
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| Compound Name |
(2E,4E,6E)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-6-fluoro-3-methyl-octa-2,4,6-trienoic acid
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| Structure |
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| Formula |
C25H35FO3
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| Molecular Weight |
402.55
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| Canonical SMILES |
CCCCOc1c(cc(cc1\C(C)=C(\F)/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C25H35FO3/c1-8-9-12-29-25-21(17(4)5)14-20(16(2)3)15-22(25)19(7)23(26)11-10-18(6)13-24(27)28/h10-11,13-17H,8-9,12H2,1-7H3,(H,27,28)/b11-10+,18-13+,23-19+
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| InChIKey |
ITYAECDCSRCTFW-VPQGWKRMSA-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