N-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
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N-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
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CAS No:
107257-28-3
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Formula:
C21H20FN3O3
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Chemical Name:
N-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
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Synonyms:
3-Isoquinolinecarboxamide,1-(2-fluoro-5-nitrophenyl)-N-methyl-N-(1-methylpropyl);
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CAS No:
N-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide Basic Attributes
381.40000
381.14886967 g/mol
Drug Information
Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)
1-(2-fluoro-5-nitrophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
Computed Properties
Molecular Weight:381.4
XLogP3:4.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:381.14886967
Monoisotopic Mass:381.14886967
Topological Polar Surface Area:79
Heavy Atom Count:28
Complexity:570
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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