General Information of the Compound
| Compound ID |
CP0379192
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| Compound Name |
5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-(4-methylsulfanyl-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C19H18O5S2
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| Molecular Weight |
390.482
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| Canonical SMILES |
CSc1ccc(cc1)C1=C(c2ccc(cc2)S(C)(=O)=O)C(C)(O)OC1=O
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| InChI |
InChI=1S/C19H18O5S2/c1-19(21)17(13-6-10-15(11-7-13)26(3,22)23)16(18(20)24-19)12-4-8-14(25-2)9-5-12/h4-11,21H,1-3H3
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| InChIKey |
QSIMEXGETHTWEY-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