COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564987
Chemical Name: 4-[(E)-{[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=N/N1CC[NH+](CC1)Cc1ccccc1Cl

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Molecular Weight: 329.83
Empirical Formula: C18H20ClN3O

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.965
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 43
Number of rings: 3

     

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