General Information of the Compound
| Compound ID |
CP0411156
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| Compound Name |
2-[4-(3,5-ditert-butylphenyl)phenyl]acetic acid
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| Structure |
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| Formula |
C22H28O2
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| Molecular Weight |
324.464
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C22H28O2/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)16-9-7-15(8-10-16)11-20(23)24/h7-10,12-14H,11H2,1-6H3,(H,23,24)
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| InChIKey |
GFJZNFKZHVQMPK-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
Protein ID: PT02769, Retinoic acid receptor RXR-gamma