COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051805
Chemical Name: 4-(3-bromophenyl)-3-cyano-6-hydroxy-5-(isoquinolinium-2-yl)-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: N#CC1=C([S-])NC(C(C1c1cccc(c1)Br)[n+]1ccc2c(c1)cccc2)(O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 572.57
Empirical Formula: C31H30BrN3OS

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 2.179
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 59
Number of rings: 8

     

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