General Information of the Compound
| Compound ID |
CP0040447
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| Compound Name |
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide
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| Synonyms |
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonamide
4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide
4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide
Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-(9CI)
Bextra
COX
Kudeq
ND-0214
P-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
Pfizer brand of valdecoxib
SC 65872
SC-65872
Valdecoxib
Valdecoxib (USAN/INN)
Valdecoxib [USAN]
Valdyn
YM-974
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| Structure |
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| Formula |
C16H14N2O3S
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| Molecular Weight |
314.366
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| Canonical SMILES |
Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
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| InChI |
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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| InChIKey |
LNPDTQAFDNKSHK-UHFFFAOYSA-N
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| CAS |
181695-72-7
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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: PT00209, Carbonic anhydrase
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2
Clinical Information about the Compound