General Information of the Compound
| Compound ID |
CP0049287
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| Compound Name |
4-(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 |
C22H24O3
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| Molecular Weight |
336.431
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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| InChIKey |
PBXZHEOVJMPKDY-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: PT02999, Cytochrome P450 26A1
Protein ID: PT06165, Cytochrome P450 26B1
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