General Information of the Compound
| Compound ID |
CP0394480
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| Compound Name |
4-(3,5-ditert-butylphenyl)benzoic acid
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| Structure |
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| Formula |
C21H26O2
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| Molecular Weight |
310.437
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H26O2/c1-20(2,3)17-11-16(12-18(13-17)21(4,5)6)14-7-9-15(10-8-14)19(22)23/h7-13H,1-6H3,(H,22,23)
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| InChIKey |
XXYKRCSYXPGUHH-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