General Information of the Compound
| Compound ID |
CP0058419
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| Compound Name |
(E)-3-(2,3-Dimethoxybenzylidene)chroman-4-one
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| Structure |
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| Formula |
C18H16O4
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| Molecular Weight |
296.322
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| Canonical SMILES |
COc1cccc(\C=C2/COc3ccccc3C2=O)c1OC
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| InChI |
InChI=1S/C18H16O4/c1-20-16-9-5-6-12(18(16)21-2)10-13-11-22-15-8-4-3-7-14(15)17(13)19/h3-10H,11H2,1-2H3/b13-10+
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| InChIKey |
URQDRIOEPNTTQA-JLHYYAGUSA-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