General Information of the Compound
| Compound ID |
CP0133619
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| Compound Name |
6,7-Dimethoxy-1,1-dioxo-3,4-dihydro-1H-1lambda*6*-benzo[c][1,2]oxathiine-3-carboxylic acid (1-benzyl-2-oxo-ethyl)-amide(3R,3S diastereomeric mixture)
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| Structure |
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| Formula |
C20H21NO7S
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| Molecular Weight |
419.455
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| Canonical SMILES |
COc1cc2CC(OS(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O
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| InChI |
InChI=1S/C20H21NO7S/c1-26-16-9-14-10-18(28-29(24,25)19(14)11-17(16)27-2)20(23)21-15(12-22)8-13-6-4-3-5-7-13/h3-7,9,11-12,15,18H,8,10H2,1-2H3,(H,21,23)/t15-,18?/m0/s1
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| InChIKey |
LQRZTYSMBCPWTG-BUSXIPJBSA-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