General Information of the Compound
| Compound ID |
CP0388026
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| Compound Name |
(E)-1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H18O4
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| Molecular Weight |
298.338
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccccc2)cc(OC)c1OC
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| InChI |
InChI=1S/C18H18O4/c1-20-16-11-13(12-17(21-2)18(16)22-3)9-10-15(19)14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+
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| InChIKey |
MFDFEQQOFGIZAS-MDZDMXLPSA-N
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| CAS |
60246-63-1
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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