General Information of the Compound
| Compound ID |
CP0423622
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| Compound Name |
4-[4-(2-butoxyethoxy)phenyl]-2-fluorobenzoic acid
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| Structure |
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| Formula |
C19H21FO4
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| Molecular Weight |
332.371
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| Canonical SMILES |
CCCCOCCOc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
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| InChI |
InChI=1S/C19H21FO4/c1-2-3-10-23-11-12-24-16-7-4-14(5-8-16)15-6-9-17(19(21)22)18(20)13-15/h4-9,13H,2-3,10-12H2,1H3,(H,21,22)
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| InChIKey |
JXQRCYPIISFGII-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