COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527985
Chemical Name: (4S,5R,6R)-4-(4-chlorophenyl)-3-cyano-6-hydroxy-6-methyl-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])N[C@]([C@@H]([C@H]1c1ccc(cc1)Cl)[n+]1ccccc1)(C)O

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Molecular Weight: 357.86
Empirical Formula: C18H16ClN3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.047
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 59
Number of rings: 3

     

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