General Information of the Compound
| Compound ID |
CP0427268
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| Compound Name |
3-(3,4-Dichloro-phenyl)-5-hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
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| Structure |
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| Formula |
C18H14Cl2O5S
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| Molecular Weight |
413.278
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| Canonical SMILES |
CC1(O)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C18H14Cl2O5S/c1-18(22)16(10-3-6-12(7-4-10)26(2,23)24)15(17(21)25-18)11-5-8-13(19)14(20)9-11/h3-9,22H,1-2H3
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| InChIKey |
STMDMLVEEZZZEO-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