General Information of the Compound
| Compound ID |
CP0433716
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| Compound Name |
5-ethyl-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid
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| Structure |
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| Formula |
C8H10O4
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| Molecular Weight |
170.164
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| Canonical SMILES |
CCC1(C)OC(=CC1=O)C(O)=O
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| InChI |
InChI=1S/C8H10O4/c1-3-8(2)6(9)4-5(12-8)7(10)11/h4H,3H2,1-2H3,(H,10,11)
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| InChIKey |
OQHSRVKUCPVSIX-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