COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK963351
Chemical Name: 1-(4-bromobenzyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazin-1-ium
Smiles: COc1cc(CN2CC[NH+](CC2)Cc2ccc(cc2)Br)c(cc1OC)[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 451.34
Empirical Formula: C20H25BrN3O4

Available Amount: 0 mg

Lipinsky:
logP: 3.162
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 3

     

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