General Information of the Compound
| Compound ID |
CP0132427
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| Compound Name |
5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl
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| Synonyms |
5-Chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
5CH
Algix
Algix (TN)
Arcoxia
Arcoxia (TN)
Etoricoxib
Etoricoxib (USAN/INN)
Etoricoxib [USAN:INN:BAN]
Etoricoxibe
L-791456
L791456
MK 0663
MK 663
MK-0663
MK-663
Merck Sharp & Dohme brand of etoricoxib
Nucoxia
Tauxib
Tauxib (TN)
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| Structure |
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| Formula |
C18H15ClN2O2S
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| Molecular Weight |
358.85
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| Canonical SMILES |
Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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| InChIKey |
MNJVRJDLRVPLFE-UHFFFAOYSA-N
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| CAS |
202409-33-4
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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: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2
Clinical Information about the Compound