General Information of the Compound
| Compound ID |
CP0492368
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| Compound Name |
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-o-tolyloxy-5H-furan-2-one
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| Structure |
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| Formula |
C20H20O5S
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| Molecular Weight |
372.442
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| Canonical SMILES |
Cc1ccccc1OC1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(C)OC1=O
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| InChI |
InChI=1S/C20H20O5S/c1-13-7-5-6-8-16(13)24-18-17(20(2,3)25-19(18)21)14-9-11-15(12-10-14)26(4,22)23/h5-12H,1-4H3
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| InChIKey |
KMZIBRMKHUHDPP-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