General Information of the Compound
| Compound ID |
CP0047977
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| Compound Name |
4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid
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| Structure |
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| Formula |
C23H26O2
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| Molecular Weight |
334.459
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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| InChIKey |
SPARUJQOIBYQHO-UHFFFAOYSA-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: PT01475, Retinoic acid receptor alpha
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: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02226, Retinoic acid receptor RXR-gamma
Protein ID: PT02769, Retinoic acid receptor RXR-gamma