General Information of the Compound
| Compound ID |
CP0461728
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| Compound Name |
ethyl 5-(benzenesulfonyl)-3,3-dimethyl-4-oxopentanoate
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| Structure |
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| Formula |
C15H20O5S
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| Molecular Weight |
312.387
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| Canonical SMILES |
CCOC(=O)CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C15H20O5S/c1-4-20-14(17)10-15(2,3)13(16)11-21(18,19)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
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| InChIKey |
XXTPFRZECMHMCS-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