General Information of the Compound
| Compound ID |
CP0504224
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| Compound Name |
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methyl-5-(2,2,2-trifluoro-ethoxy)-5H-furan-2-one
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| Structure |
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| Formula |
C20H16F4O5S
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| Molecular Weight |
444.402
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| Canonical SMILES |
CC1(OCC(F)(F)F)OC(=O)C(=C1c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H16F4O5S/c1-19(28-11-20(22,23)24)17(13-5-9-15(10-6-13)30(2,26)27)16(18(25)29-19)12-3-7-14(21)8-4-12/h3-10H,11H2,1-2H3
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| InChIKey |
VHAKQCXBMKLGNB-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