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AB-836

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Category Hepatitis B Virus (HBV)
CAS 2445597-31-7
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Product Information

Synonyms AB-836;2445597-31-7;MHY5H5WMW6;CHEMBL5314907;SCHEMBL22094191;EX-A6898;DA-50078;HY-148348;CS-0619622;N'-(3-Cyano-4-fluorophenyl)-N-[(1R)-1-(6,7-difluoro-1,2-dihydro-1-oxo-4-isoquinolinyl)ethyl]-N-methylurea;Urea, N'-(3-cyano-4-fluorophenyl)-N-[(1R)-1-(6,7-difluoro-1,2-dihydro-1-oxo-4-isoquinolinyl)ethyl]-N-methyl-;
IUPAC Name 3-(3-cyano-4-fluorophenyl)-1-[(1R)-1-(6,7-difluoro-1-oxo-2H-isoquinolin-4-yl)ethyl]-1-methylurea
Molecular Weight 445.4
Molecular Formula C21H23N3O8
Canonical SMILES C1NCCN(C1)C2=NC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI InChI=1S/C20H15F3N4O2/c1-10(15-9-25-19(28)14-7-18(23)17(22)6-13(14)15)27(2)20(29)26-12-3-4-16(21)11(5-12)8-24/h3-7,9-10H,1-2H3,(H,25,28)(H,26,29)/t10-/m1/s1
InChIKey WKCMLORRPISTPL-SNVBAGLBSA-N
Appearance Solid

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