General Information of the Compound
| Compound ID |
CP0491040
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| Compound Name |
3-[4-(3,5-ditert-butylphenyl)phenyl]propanoic 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 |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C23H30O2/c1-22(2,3)19-13-18(14-20(15-19)23(4,5)6)17-10-7-16(8-11-17)9-12-21(24)25/h7-8,10-11,13-15H,9,12H2,1-6H3,(H,24,25)
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| InChIKey |
KBJFVQGMYRFZEX-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