General Information of the Compound
| Compound ID |
CP0155054
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| Compound Name |
(2E,4E)-6-((3,5-di-tert-butylphenyl)(propyl)amino)-3-methylhexa-2,4-dienoic acid
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| Structure |
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| Formula |
C24H37NO2
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| Molecular Weight |
371.565
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| Canonical SMILES |
CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C24H37NO2/c1-9-12-25(13-10-11-18(2)14-22(26)27)21-16-19(23(3,4)5)15-20(17-21)24(6,7)8/h10-11,14-17H,9,12-13H2,1-8H3,(H,26,27)/b11-10+,18-14+
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| InChIKey |
NJUNLFLTZKMXMQ-NJESZQPCSA-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