General Information of the Compound
| Compound ID |
CP0411111
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| Compound Name |
4-(3-tert-butylphenyl)benzoic acid
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| Structure |
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| Formula |
C17H18O2
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| Molecular Weight |
254.329
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| Canonical SMILES |
CC(C)(C)c1cccc(c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C17H18O2/c1-17(2,3)15-6-4-5-14(11-15)12-7-9-13(10-8-12)16(18)19/h4-11H,1-3H3,(H,18,19)
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| InChIKey |
JIHQMQMGCUONBM-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