General Information of the Compound
| Compound ID |
CP0504026
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| Compound Name |
5-(3-methoxy-phenyl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid
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| Structure |
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| Formula |
C13H12O5
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| Molecular Weight |
248.234
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| Canonical SMILES |
COc1cccc(c1)C1(C)OC(=CC1=O)C(O)=O
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| InChI |
InChI=1S/C13H12O5/c1-13(8-4-3-5-9(6-8)17-2)11(14)7-10(18-13)12(15)16/h3-7H,1-2H3,(H,15,16)
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| InChIKey |
KJRXFRPWDMVTLR-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