COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667977
Chemical Name: (4S,5R,6R)-3-cyano-6-hydroxy-5-(isoquinolinium-2-yl)-6-phenyl-1,4,5,6-tetrahydro-4,4'-bipyridine-2-thiolate
Smiles: N#CC1=C([S-])N[C@@]([C@@H]([C@H]1c1ccncc1)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1

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Molecular Weight: 436.54
Empirical Formula: C26H20N4OS

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: -0.343
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 72
Number of rings: 5

     

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