General Information of the Compound
| Compound ID |
CP0171792
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| Compound Name |
(2E,4E)-6-(butyl(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)amino)-3-methylhexa-2,4-dienoic acid
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| Structure |
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| Formula |
C26H39NO2
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| Molecular Weight |
397.603
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| Canonical SMILES |
CCCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
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| InChI |
InChI=1S/C26H39NO2/c1-8-9-14-27(15-10-11-19(2)16-24(28)29)23-18-20(25(3,4)5)17-22-21(23)12-13-26(22,6)7/h10-11,16-18H,8-9,12-15H2,1-7H3,(H,28,29)/b11-10+,19-16+
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| InChIKey |
KQRUCMPFAOHXEQ-WEGNKRRCSA-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma