General Information of the Compound
| Compound ID |
CP0505297
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| Compound Name |
3-Benzyl-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
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| Structure |
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| Formula |
C20H20O4S
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| Molecular Weight |
356.443
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| Canonical SMILES |
CC1(C)OC(=O)C(Cc2ccccc2)=C1c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H20O4S/c1-20(2)18(15-9-11-16(12-10-15)25(3,22)23)17(19(21)24-20)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
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| InChIKey |
KNHHNILXEQGEIW-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