General Information of the Compound
| Compound ID |
CP0037144
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| Compound Name |
4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one
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| Synonyms |
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone
3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one
4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone
4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
Cahill May Roberts brand of rofecoxib
Ceeoxx (TN)
Ceoxx
Ceoxx (TN)
KS-1107
MK 0966
MK 0996
MK 966
MK-0966
MK-966
MK0966
MSD brand of rofecoxib
Merck Frosst brandof rofecoxib
Merck Sharp & Dhome brand of rofecoxib
Merck brand of rofecoxib
Refecoxib
Rofecoxib
Rofecoxib (JAN/USAN/INN)
Vioxx
Vioxx (TN)
Vioxx (trademark)
Vioxx Dolor
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| Structure |
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| Formula |
C17H14O4S
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| Molecular Weight |
314.362
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
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| InChI |
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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| InChIKey |
RZJQGNCSTQAWON-UHFFFAOYSA-N
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| CAS |
186912-82-3
162011-90-7
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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
Protein ID: PT01898, Prostaglandin G/H synthase 1
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT01062, Prostaglandin G/H synthase 2
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Clinical Information about the Compound