General Information of the Compound
| Compound ID |
CP0569831
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| Compound Name |
2-[7-(2-methoxyethoxy)-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
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| Structure |
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| Formula |
C16H18O6
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| Molecular Weight |
306.314
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| Canonical SMILES |
COCCOc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C
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| InChI |
InChI=1S/C16H18O6/c1-9-11-4-5-13(21-7-6-20-3)10(2)15(11)22-16(19)12(9)8-14(17)18/h4-5H,6-8H2,1-3H3,(H,17,18)
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| InChIKey |
KPPYFBIFNPXZRL-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