General Information of the Compound
Compound ID |
CP0399388
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Compound Name |
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)-2-methylprop-2-en-1-one
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Structure |
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Formula |
C21H20O6
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Molecular Weight |
368.385
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Canonical SMILES |
COc1cccc(\C=C(/C)C(=O)c2c(O)c(OC)c3occc3c2OC)c1
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InChI |
InChI=1S/C21H20O6/c1-12(10-13-6-5-7-14(11-13)24-2)17(22)16-18(23)21(26-4)20-15(8-9-27-20)19(16)25-3/h5-11,23H,1-4H3/b12-10+
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InChIKey |
GWJAVGKJRGYHHL-ZRDIBKRKSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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