General Information of the Compound
| Compound ID |
CP0094987
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| Compound Name |
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C19H18O6
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| Molecular Weight |
342.347
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| Canonical SMILES |
COc1cc(OC)c(cc1OC)C(=O)\C=C\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H18O6/c1-21-16-10-18(23-3)17(22-2)9-13(16)14(20)6-4-12-5-7-15-19(8-12)25-11-24-15/h4-10H,11H2,1-3H3/b6-4+
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| InChIKey |
ATJICGUURCGORE-GQCTYLIASA-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