General Information of the Compound
| Compound ID |
CP0057814
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| Compound Name |
(2E,4E)-6-((3,5-di-tert-butylphenyl)(octyl)amino)-3-methylhexa-2,4-dienoic acid
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| Structure |
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| Formula |
C29H47NO2
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| Molecular Weight |
441.7
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| Canonical SMILES |
CCCCCCCCN(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/C29H47NO2/c1-9-10-11-12-13-14-17-30(18-15-16-23(2)19-27(31)32)26-21-24(28(3,4)5)20-25(22-26)29(6,7)8/h15-16,19-22H,9-14,17-18H2,1-8H3,(H,31,32)/b16-15+,23-19+
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| InChIKey |
UDVMICRJXWINTB-ZKYGTFQSSA-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