General Information of the Compound
| Compound ID |
CP0209249
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| Compound Name |
4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid
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| Structure |
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| Formula |
C23H26O4
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| Molecular Weight |
366.457
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| Canonical SMILES |
COc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C23H26O4/c1-22(2)10-11-23(3,4)18-13-19(27-5)16(12-17(18)22)20(24)14-6-8-15(9-7-14)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
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| InChIKey |
DDJVSSMSKVUAQT-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: PT02226, Retinoic acid receptor RXR-gamma