COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK665361
Chemical Name: 3,5-dinitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoicacid
Smiles: O=C(c1ccccc1)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

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Molecular Weight: 400.35
Empirical Formula: C18H16N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.507
Rotatable bonds: 1
H-donors: 1
H-acceptors: 7
PSA: 152
Number of rings: 3

     

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