General Information of the Compound
| Compound ID |
CP0109708
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| Compound Name |
(2E,4E)-6-((6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)(cyclopropylmethyl)amino)-3-methylhexa-2,4-dienoic acid
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| Structure |
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| Formula |
C26H37NO2
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| Molecular Weight |
395.587
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| Canonical SMILES |
C\C(\C=C\CN(CC1CC1)c1cc(cc2c1CCC2(C)C)C(C)(C)C)=C/C(O)=O
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| InChI |
InChI=1S/C26H37NO2/c1-18(14-24(28)29)8-7-13-27(17-19-9-10-19)23-16-20(25(2,3)4)15-22-21(23)11-12-26(22,5)6/h7-8,14-16,19H,9-13,17H2,1-6H3,(H,28,29)/b8-7+,18-14+
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| InChIKey |
FMOOFUIGTSVHCO-UABRHEIZSA-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