General Information of the Compound
| Compound ID |
CP0411007
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| Compound Name |
(E)-3-(2,6-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H16F2O4
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| Molecular Weight |
334.318
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)\C=C\c1c(F)cccc1F
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| InChI |
InChI=1S/C18H16F2O4/c1-22-16-9-11(10-17(23-2)18(16)24-3)15(21)8-7-12-13(19)5-4-6-14(12)20/h4-10H,1-3H3/b8-7+
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| InChIKey |
CTWCGYDTHCEYSA-BQYQJAHWSA-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