General Information of the Compound
| Compound ID |
CP0050753
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| Compound Name |
5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole
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| Synonyms |
5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfinyl)benzimidazole
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
Astropan
Astropan (TN)
BY 1023
BY-1023
Controloc (TN)
Inipomp (TN)
Pantecta (TN)
Pantoloc (TN)
Pantopan (TN)
Pantoprazol
Pantoprazol [INN-Spanish]
Pantoprazole
Pantoprazole (USAN/INN)
Pantoprazole Na
Pantoprazole Sodium
Pantoprazole [USAN:BAN:INN]
Pantoprazolum
Pantoprazolum [INN-Latin]
Pantoprozole
Pantor
Pantor (TN)
Pantotab (TN)
Pantozol
Pantozol (TN)
Protium
Protium (TN)
Protonix
Protonix (TN)
Protonix IV
SK&F 96022
SK&F-96022
SK-96022
SKF-96022
Somac
Somac (TN)
Ulcepraz (TN)
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| Structure |
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| Formula |
C16H15F2N3O4S
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| Molecular Weight |
383.376
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| Canonical SMILES |
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
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| InChI |
InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
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| InChIKey |
IQPSEEYGBUAQFF-UHFFFAOYSA-N
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| CAS |
102625-70-7
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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: PT06300, Indoleamine 2,3-dioxygenase 2
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT04591, Solute carrier family 22 member 2
Clinical Information about the Compound