General Information of the Compound
| Compound ID |
CP0441477
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| Compound Name |
3,3-dimethyl-1-(phenylsulfonyl)butan-2-one
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| Structure |
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| Formula |
C12H16O3S
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| Molecular Weight |
240.324
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| Canonical SMILES |
CC(C)(C)C(=O)CS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C12H16O3S/c1-12(2,3)11(13)9-16(14,15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
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| InChIKey |
KEXNSQSTQQRAOM-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