General Information of the Compound
| Compound ID |
CP0059698
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| Compound Name |
(2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-cyclopentyl]-penta-2,4-dienoic acid
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| Structure |
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| Formula |
C26H36O2
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| Molecular Weight |
380.572
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| Canonical SMILES |
C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
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| InChI |
InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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| InChIKey |
FJIBZFRLRGXSSC-HOBAOKGYSA-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: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT02538, Retinoic acid receptor RXR-beta
Protein ID: PT02226, Retinoic acid receptor RXR-gamma