General Information of the Compound
| Compound ID |
CP0538621
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| Compound Name |
1-(3,5-dimethylphenyl)-2-(phenylsulfonyl)ethanone
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| Synonyms |
1-(3,5-dimethylphenyl)-2-(phenylsulfonyl)ethanone
BDBM50212547
CHEMBL239261
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| Structure |
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| Formula |
C16H16O3S
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| Molecular Weight |
288.368
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| Canonical SMILES |
Cc1ccc(C(=O)CS(=O)(=O)c2ccccc2)c(C)c1
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| InChI |
InChI=1S/C16H16O3S/c1-12-8-9-15(13(2)10-12)16(17)11-20(18,19)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
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| InChIKey |
MYSKHEDYGIVTKV-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
Clinical Information about the Compound