General Information of the Compound
| Compound ID |
CP0493794
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| Compound Name |
2-fluoro-4-(4-octylphenyl)benzoic acid
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| Structure |
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| Formula |
C21H25FO2
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| Molecular Weight |
328.427
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| Canonical SMILES |
CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
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| InChI |
InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18-13-14-19(21(23)24)20(22)15-18/h9-15H,2-8H2,1H3,(H,23,24)
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| InChIKey |
FFRHSGSLZDXURB-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma