COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697914
Chemical Name: 3-{[(4-methylphenyl)sulfonyl]oxy}-1-(4-nitrobenzyl)-1-azoniabicyclo[2.2.2]octane
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1C[N+]2(CCC1CC2)Cc1ccc(cc1)N(=O)=O

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Saltdata: Br-
Molecular Weight: 417.51
Empirical Formula: C21H25N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.443
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 5

     

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