General Information of the Compound
| Compound ID |
CP0455204
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| Compound Name |
3-(4-methoxy-6-oxopyran-2-yl)propanoic acid
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| Structure |
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| Formula |
C9H10O5
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| Molecular Weight |
198.174
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| Canonical SMILES |
COc1cc(CCC(O)=O)oc(=O)c1
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| InChI |
InChI=1S/C9H10O5/c1-13-7-4-6(2-3-8(10)11)14-9(12)5-7/h4-5H,2-3H2,1H3,(H,10,11)
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| InChIKey |
ANMIXQYGZDPTLJ-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