Catalog No.:AA00IW15

53661-29-3 | 3-Oxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Name: Name:3-Oxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Brand: AABLOCKS
SKU: AA00IW15
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10mg

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500mg

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10g

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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00IW15

Chemical Name:

3-Oxo-1-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

CAS Number:

53661-29-3

Molecular Formula:

C16H14N2O

Molecular Weight:

250.2952

MDL Number:

MFCD01565242

SMILES:

N#Cc1c(O)nc(c2c1CCCC2)c1ccccc1

Properties

Computed Properties

Complexity:

512

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.2

Literature

Title: Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11β-hydroxydehydrogenase 1 (11β-HSD1).

Journal: Bioorganic & medicinal chemistry letters 20111115

Title: A substrate-free activity-based protein profiling screen for the discovery of selective PREPL inhibitors.

Journal: Journal of the American Chemical Society 20110803

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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