COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667976
Chemical Name: (4S,5R,6R)-3-cyano-4-(3,4-dichlorophenyl)-6-hydroxy-5-(isoquinolinium-2-yl)-6-phenyl-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])N[C@@]([C@@H]([C@H]1c1ccc(c(c1)Cl)Cl)[n+]1ccc2c(c1)cccc2)(O)c1ccccc1

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Molecular Weight: 504.44
Empirical Formula: C27H19Cl2N3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.214
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 59
Number of rings: 5

     

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