General Information of the Compound
| Compound ID |
CP0571820
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| Compound Name |
(6,6-dimethyl-7,10,11-trioxo-8,9-dihydronaphtho[1,2-g][1]benzofuran-1-yl)methyl acetate
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| Structure |
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| Formula |
C21H18O6
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| Molecular Weight |
366.369
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| Canonical SMILES |
CC(=O)OCc1coc-2c1C(=O)C(=O)c1c3CCC(=O)C(C)(C)c3ccc-21
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| InChI |
InChI=1S/C21H18O6/c1-10(22)26-8-11-9-27-20-13-4-6-14-12(5-7-15(23)21(14,2)3)17(13)19(25)18(24)16(11)20/h4,6,9H,5,7-8H2,1-3H3
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| InChIKey |
INCOYXMEAVILNC-UHFFFAOYSA-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