General Information of the Compound
| Compound ID |
CP0383368
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| Compound Name |
5-ethyl-4-oxo-5-phenyl-4,5-dihydro-furan-2-carboxylic acid
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| Synonyms |
853260-98-7
BDBM50208125
CTK3C8946
DTXSID90456956
GTPL1598
PMID17358052C5b
ethyl analogue of acifran
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| Structure |
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| Formula |
C13H12O4
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| Molecular Weight |
232.235
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| Canonical SMILES |
CCC1(OC(=CC1=O)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C13H12O4/c1-2-13(9-6-4-3-5-7-9)11(14)8-10(17-13)12(15)16/h3-8H,2H2,1H3,(H,15,16)
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| InChIKey |
SUHZZFNDVLWPTL-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: PT01282, Hydroxycarboxylic acid receptor 2
Protein ID: PT02010, Hydroxycarboxylic acid receptor 3
Clinical Information about the Compound