General Information of the Compound
| Compound ID |
CP0432561
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| Compound Name |
2-[4-(3,5-ditert-butylphenyl)-2-methylphenyl]acetic acid
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| Structure |
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| Formula |
C23H30O2
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| Molecular Weight |
338.491
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| Canonical SMILES |
Cc1cc(ccc1CC(O)=O)-c1cc(cc(c1)C(C)(C)C)C(C)(C)C
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| InChI |
InChI=1S/C23H30O2/c1-15-10-17(9-8-16(15)13-21(24)25)18-11-19(22(2,3)4)14-20(12-18)23(5,6)7/h8-12,14H,13H2,1-7H3,(H,24,25)
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| InChIKey |
OEOAAVRNUOTLAC-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta