General Information of the Compound
| Compound ID |
CP0441263
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H18O4
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| Molecular Weight |
334.371
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc3ccccc3c2O)cc1OC
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| InChI |
InChI=1S/C21H18O4/c1-24-19-12-8-14(13-20(19)25-2)7-11-18(22)17-10-9-15-5-3-4-6-16(15)21(17)23/h3-13,23H,1-2H3/b11-7+
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| InChIKey |
AOXZKEBKRSOYMQ-YRNVUSSQSA-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