General Information of the Compound
| Compound ID |
CP0862295
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| Compound Name |
(E)-3-(4-Ethoxy-3,5-Dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C18H19NO4
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| Molecular Weight |
313.353
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| Canonical SMILES |
CCOc1c(OC)cc(/C=C/C(=O)c2ccncc2)cc1OC
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| InChI |
InChI=1S/C18H19NO4/c1-4-23-18-16(21-2)11-13(12-17(18)22-3)5-6-15(20)14-7-9-19-10-8-14/h5-12H,4H2,1-3H3/b6-5+
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| InChIKey |
DRSHJEXKZDUEMK-AATRIKPKSA-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
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4