General Information of the Compound
| Compound ID |
CP0477365
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| Compound Name |
4-[(4-tert-butyl-2-phenylphenoxy)methyl]benzoic acid
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| Structure |
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| Formula |
C24H24O3
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| Molecular Weight |
360.453
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| Canonical SMILES |
CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)c(c1)-c1ccccc1
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| InChI |
InChI=1S/C24H24O3/c1-24(2,3)20-13-14-22(21(15-20)18-7-5-4-6-8-18)27-16-17-9-11-19(12-10-17)23(25)26/h4-15H,16H2,1-3H3,(H,25,26)
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| InChIKey |
DSMPSZKEDOMDHY-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