COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667983
Chemical Name: 4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(C(C1c1ccc(cc1)Br)[n+]1ccc(cc1)C)(O)C1CC1

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Molecular Weight: 442.38
Empirical Formula: C21H20BrN3OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.243
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 59
Number of rings: 4

     

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