General Information of the Compound
| Compound ID |
CP0445428
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| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H22O5
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| Molecular Weight |
366.413
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OC
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| InChI |
InChI=1S/C22H22O5/c1-22(2)12-11-16-18(27-22)10-7-15(21(16)24)17(23)8-5-14-6-9-19(25-3)20(13-14)26-4/h5-13,24H,1-4H3/b8-5+
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| InChIKey |
NPDBZFZFFJSOFA-VMPITWQZSA-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