General Information of the Compound
| Compound ID |
CP0578579
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| Compound Name |
[(7S)-1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-7-yl] methanesulfonate
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| Structure |
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| Formula |
C20H20O6S
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| Molecular Weight |
388.441
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| Canonical SMILES |
Cc1coc-2c1C(=O)C(=O)c1c3CC[C@H](OS(C)(=O)=O)C(C)(C)c3ccc-21
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| InChI |
InChI=1S/C20H20O6S/c1-10-9-25-19-12-5-7-13-11(16(12)18(22)17(21)15(10)19)6-8-14(20(13,2)3)26-27(4,23)24/h5,7,9,14H,6,8H2,1-4H3/t14-/m0/s1
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| InChIKey |
LVABPCJUJBYVID-AWEZNQCLSA-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