General Information of the Compound
| Compound ID |
CP0551566
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| Compound Name |
3-Benzo[b]thiophen-2-yl-5-hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
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| Structure |
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| Formula |
C20H16O5S2
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| Molecular Weight |
400.477
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| Canonical SMILES |
CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C20H16O5S2/c1-20(22)18(12-7-9-14(10-8-12)27(2,23)24)17(19(21)25-20)16-11-13-5-3-4-6-15(13)26-16/h3-11,22H,1-2H3
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| InChIKey |
IJJFJQXHOVQXGZ-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