General Information of the Compound
| Compound ID |
CP0391582
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| Compound Name |
4-(3-tert-butyl-5-methylphenyl)benzoic acid
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| Structure |
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| Formula |
C18H20O2
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| Molecular Weight |
268.356
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| Canonical SMILES |
Cc1cc(cc(c1)C(C)(C)C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C18H20O2/c1-12-9-15(11-16(10-12)18(2,3)4)13-5-7-14(8-6-13)17(19)20/h5-11H,1-4H3,(H,19,20)
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| InChIKey |
LZNBXNBFNXAUIN-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