General Information of the Compound
| Compound ID |
CP0092588
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| Compound Name |
3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one
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| Structure |
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| Formula |
C17H12F2O4S
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| Molecular Weight |
350.342
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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| InChIKey |
INRQTVDUZFESAO-UHFFFAOYSA-N
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| CAS |
162011-83-8
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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