General Information of the Compound
| Compound ID |
CP0057821
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| Compound Name |
(2E,4E)-3-methyl-6-((3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)(propyl)amino)hexa-2,4-dienoic acid
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| Structure |
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| Formula |
C25H37NO2
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| Molecular Weight |
383.576
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| Canonical SMILES |
CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H37NO2/c1-8-13-26(14-9-10-18(2)15-23(27)28)22-17-21-20(16-19(22)3)24(4,5)11-12-25(21,6)7/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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| InChIKey |
XRKDGSUSNQVNDT-FMAJSODUSA-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