General Information of the Compound
| Compound ID |
CP0017654
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| Compound Name |
(RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl) methylsulfinyl)-1H-benzo[d]imidazole
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| Synonyms |
Losec (TN)
Omeprazole
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| Structure |
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| Formula |
C17H19N3O3S
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| Molecular Weight |
345.424
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| Canonical SMILES |
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
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| InChI |
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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| InChIKey |
SUBDBMMJDZJVOS-UHFFFAOYSA-N
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| CAS |
73590-58-6
131959-78-9
172964-80-6
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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: PT04542, Bile salt export pump
Protein ID: PT01996, Bombesin receptor subtype-3
Protein ID: PT02089, Cytosolic endo-beta-N-acetylglucosaminidase
Protein ID: PT06109, Geminin
Clinical Information about the Compound