COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK194485
Chemical Name: 1-(3-bromo-4-methoxybenzyl)-4-[(4-nitrophenyl)sulfonyl]piperazine
Smiles: COc1ccc(cc1Br)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 470.34
Empirical Formula: C18H20BrN3O5S

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 3.754
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 104
Number of rings: 3

     

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