COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667978
Chemical Name: (4S,5R,6R)-4-(4-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(quinolinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])N[C@@]([C@@H]([C@H]1c1ccc(cc1)Br)[n+]1cccc2c1cccc2)(O)c1ccccc1

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Molecular Weight: 514.45
Empirical Formula: C27H20BrN3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 59
Number of rings: 5

     

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